StartDate: 2024-07-24 08:05:31+00:00 CpuId: 30x Intel Xeon W 2000 (Cascade Lake-W B1/L1/R1) {Skylake}, 14nm++ CommitSHA: 28cdd9fdab67f4119b2bf8c07bd8e0de835c337c CommitTime: 2024-07-23 21:56:20 +0200 CommitAuthor: Hans Pabst CommitSubject: Removed plan_mpi_omp from tools #################### Building Image cp2k-intel-psmp #################### Dockerfile: /tools/docker/Dockerfile.test_intel-psmp Build-Path: / Build-Args: GIT_COMMIT_SHA=28cdd9fdab67f4119b2bf8c07bd8e0de835c337c Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 393.1MB Step 1/42 : FROM intel/hpckit:2024.2.0-1-devel-ubuntu22.04 2024.2.0-1-devel-ubuntu22.04: Pulling from intel/hpckit 9b857f539cb1: Already exists fa76973e552d: Already exists a1d37428e94b: Already exists 2a1908ef692a: Already exists 0804c2cea773: Already exists 8feab7c34d52: Already exists d3fec7c64588: Already exists a5dc345efc7b: Already exists 5005f85da869: Already exists Digest: sha256:f507f66e1fca2734c0d5a95539265f172ee4f1399706bffdeadbfdb4a6c2d082 Status: Downloaded newer image for intel/hpckit:2024.2.0-1-devel-ubuntu22.04 ---> 6c647f4b3a3f Step 2/42 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 5dff1d85c9c1 Step 3/42 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 0cd7639586b6 Step 4/42 : RUN ./install_requirements.sh ubuntu ---> Using cache ---> 1f37a0ef1923 Step 5/42 : RUN mkdir scripts ---> Using cache ---> eb47ca353bce Step 6/42 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./scripts/ ---> Using cache ---> 50bb6fa850ae Step 7/42 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> 2f141d1a0273 Step 8/42 : RUN ./install_cp2k_toolchain.sh --install-all --with-intelmpi --with-mkl --with-libtorch=no --dry-run ---> Using cache ---> e81bd8712d75 Step 9/42 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> e4f298e31fad Step 10/42 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> a69d540c718e Step 11/42 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> 5523fd0b81ce Step 12/42 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Running in b8218084ad1a ==================== Finding Intel MPI from system paths ==================== path to mpiexec is /opt/intel/oneapi/mpi/2021.13/bin/mpiexec path to mpiicc is /opt/intel/oneapi/mpi/2021.13/bin/mpiicc path to mpiicpc is /opt/intel/oneapi/mpi/2021.13/bin/mpiicpc path to mpiifort is /opt/intel/oneapi/mpi/2021.13/bin/mpiifort Found lib directory /opt/intel/oneapi/mpi/2021.13/lib libmpi is found in ld search path libmpicxx is found in ld search path I_MPI_CXX is icpx I_MPI_CC is icx I_MPI_FC is ifort MPICXX is /opt/intel/oneapi/mpi/2021.13/bin/mpiicpc MPICC is /opt/intel/oneapi/mpi/2021.13/bin/mpiicc MPIFC is /opt/intel/oneapi/mpi/2021.13/bin/mpiifort Step intelmpi took 0.00 seconds. Removing intermediate container b8218084ad1a ---> 11db733bf610 Step 13/42 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> e5c72eeaa216 Step 14/42 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Running in 198c42ced667 WARNING: (/opt/cp2k-toolchain/scripts/stage2/install_mkl.sh, line 23) MKL FFTW3 interface is present, but FFTW library is needed for FFTW-MPI wrappers. ==================== Finding MKL from system paths ==================== MKLROOT is found to be /opt/intel/oneapi/mkl/2024.2 libm is found in ld search path libdl is found in ld search path Step mkl took 0.00 seconds. Removing intermediate container 198c42ced667 ---> e292f4767c12 Step 15/42 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> 262d726ddd25 Step 16/42 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Running in cd2b587d3b81 ==================== Installing FFTW ==================== wget --quiet https://www.cp2k.org/static/downloads/fftw-3.3.10.tar.gz fftw-3.3.10.tar.gz: OK Checksum of fftw-3.3.10.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/fftw-3.3.10 Step fftw took 66.00 seconds. ==================== Installing LIBINT ==================== wget --quiet https://www.cp2k.org/static/downloads/libint-v2.6.0-cp2k-lmax-5.tgz libint-v2.6.0-cp2k-lmax-5.tgz: OK Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5 Step libint took 388.00 seconds. ==================== Installing LIBXC ==================== wget --quiet https://www.cp2k.org/static/downloads/libxc-6.2.2.tar.gz libxc-6.2.2.tar.gz: OK Checksum of libxc-6.2.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxc-6.2.2 Step libxc took 35.00 seconds. ==================== Installing LIBGRPP ==================== wget --quiet https://www.cp2k.org/static/downloads/libgrpp-main-20231215.zip libgrpp-main-20231215.zip: OK Checksum of libgrpp-main-20231215.zip Ok Installing from scratch into /opt/cp2k-toolchain/install/libgrpp-main-20231215 Step libgrpp took 16.00 seconds. Removing intermediate container cd2b587d3b81 ---> f5aad7600bf0 Step 17/42 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> 67677fce84cb Step 18/42 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Running in 2940495fae79 ==================== Installing Libxsmm ==================== wget --quiet https://www.cp2k.org/static/downloads/libxsmm-1.17.tar.gz libxsmm-1.17.tar.gz: OK Checksum of libxsmm-1.17.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxsmm-1.17 Step libxsmm took 22.00 seconds. Step scalapack took 0.00 seconds. ==================== Installing COSMA ==================== wget --quiet https://www.cp2k.org/static/downloads/COSMA-v2.6.6.tar.gz COSMA-v2.6.6.tar.gz: OK Checksum of COSMA-v2.6.6.tar.gz Ok wget --quiet https://www.cp2k.org/static/downloads/COSTA-v2.2.2.tar.gz COSTA-v2.2.2.tar.gz: OK Checksum of COSTA-v2.2.2.tar.gz Ok wget --quiet https://www.cp2k.org/static/downloads/Tiled-MM-v2.3.1.tar.gz Tiled-MM-v2.3.1.tar.gz: OK Checksum of Tiled-MM-v2.3.1.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/COSMA-2.6.6 Step cosma took 48.00 seconds. Removing intermediate container 2940495fae79 ---> ea96df7ff4e1 Step 19/42 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> 42e6e37137cf Step 20/42 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Running in 59f503452b89 ==================== Installing ELPA ==================== wget --quiet https://www.cp2k.org/static/downloads/elpa-2024.03.001.tar.gz elpa-2024.03.001.tar.gz: OK Checksum of elpa-2024.03.001.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/elpa-2024.03.001/cpu Step elpa took 277.00 seconds. ==================== Installing PT-Scotch ==================== wget --quiet https://www.cp2k.org/static/downloads/scotch_6.0.0.tar.gz scotch_6.0.0.tar.gz: OK Checksum of scotch_6.0.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/scotch-6.0.0 Step ptscotch took 6.00 seconds. ==================== Installing SuperLU_DIST ==================== wget --quiet https://www.cp2k.org/static/downloads/superlu_dist_6.1.0.tar.gz superlu_dist_6.1.0.tar.gz: OK Checksum of superlu_dist_6.1.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/superlu_dist-6.1.0 Step superlu took 13.00 seconds. ==================== Installing PEXSI ==================== wget --quiet https://www.cp2k.org/static/downloads/pexsi_v1.2.0.tar.gz pexsi_v1.2.0.tar.gz: OK Checksum of pexsi_v1.2.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/pexsi-1.2.0 Step pexsi took 73.00 seconds. Removing intermediate container 59f503452b89 ---> 19805a7566f8 Step 21/42 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> 4de1739e14e1 Step 22/42 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Running in df318cbf5260 WARNING: (./scripts/stage6/install_quip.sh) A QUIP installation using the Intel compiler is currently not supported. The QUIP package will not be installed. ==================== Installing gsl ==================== wget --quiet https://www.cp2k.org/static/downloads/gsl-2.7.tar.gz gsl-2.7.tar.gz: OK Checksum of gsl-2.7.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/gsl-2.7 Step gsl took 61.00 seconds. ==================== Installing PLUMED ==================== wget --quiet https://www.cp2k.org/static/downloads/plumed-src-2.9.0.tgz plumed-src-2.9.0.tgz: OK Checksum of plumed-src-2.9.0.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/plumed-2.9.0 Step plumed took 105.00 seconds. ==================== Installing DeePMD ==================== wget --quiet https://www.cp2k.org/static/downloads/libdeepmd_c-2.2.7.tar.gz libdeepmd_c-2.2.7.tar.gz: OK Checksum of libdeepmd_c-2.2.7.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libdeepmd_c-2.2.7 Step deepmd took 24.00 seconds. Removing intermediate container df318cbf5260 ---> a4d1afce491d Step 23/42 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> 8c354af7a884 Step 24/42 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Running in bf7c672b9e9d ==================== Installing hdf5 ==================== wget --quiet https://www.cp2k.org/static/downloads/hdf5-1.14.2.tar.bz2 hdf5-1.14.2.tar.bz2: OK Checksum of hdf5-1.14.2.tar.bz2 Ok Installing from scratch into /opt/cp2k-toolchain/install/hdf5-1.14.2 Step hdf5 took 95.00 seconds. ==================== Installing libvdwxc ==================== wget --quiet https://www.cp2k.org/static/downloads/libvdwxc-0.4.0.tar.gz libvdwxc-0.4.0.tar.gz: OK Checksum of libvdwxc-0.4.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libvdwxc-0.4.0 Step libvdwxc took 23.00 seconds. ==================== Installing spglib ==================== wget --quiet https://www.cp2k.org/static/downloads/spglib-2.3.1.tar.gz spglib-2.3.1.tar.gz: OK Checksum of spglib-2.3.1.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/spglib-2.3.1 Step spglib took 4.00 seconds. ==================== Installing libvori ==================== wget --quiet https://www.cp2k.org/static/downloads/libvori-220621.tar.gz libvori-220621.tar.gz: OK Checksum of libvori-220621.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libvori-220621 Step libvori took 16.00 seconds. Step libtorch took 1.00 seconds. Removing intermediate container bf7c672b9e9d ---> 53a4bbb963ef Step 25/42 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> de664d055d2d Step 26/42 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Running in a7a9486ef206 ==================== Installing spfft ==================== wget --quiet https://www.cp2k.org/static/downloads/SpFFT-1.1.0.tar.gz SpFFT-1.1.0.tar.gz: OK Checksum of SpFFT-1.1.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/SpFFT-1.1.0 Step spfft took 6.00 seconds. ==================== Installing spla ==================== wget --quiet https://www.cp2k.org/static/downloads/SpLA-1.6.1.tar.gz SpLA-1.6.1.tar.gz: OK Checksum of SpLA-1.6.1.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/SpLA-1.6.1 Step spla took 8.00 seconds. ==================== Installing SIRIUS ==================== wget --quiet https://www.cp2k.org/static/downloads/SIRIUS-7.5.2.tar.gz SIRIUS-7.5.2.tar.gz: OK Checksum of SIRIUS-7.5.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/sirius-7.5.2 Step sirius took 77.00 seconds. ==================== Installing GRIMME D4 ==================== wget --quiet https://www.cp2k.org/static/downloads/dftd4-3.6.0.tar.gz dftd4-3.6.0.tar.gz: OK Checksum of dftd4-3.6.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/dftd4-3.6.0 ==================== Linking Grimme_D4 to user paths ==================== Step dftd4 took 14.00 seconds. Removing intermediate container a7a9486ef206 ---> 29d7eb27b0c6 Step 27/42 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> 698d2a00c860 Step 28/42 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Running in 5061ed84572a ==================== generating arch files ==================== arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory Wrote /opt/cp2k-toolchain/install/arch/local.ssmp Wrote /opt/cp2k-toolchain/install/arch/local.sdbg Wrote /opt/cp2k-toolchain/install/arch/local.psmp Wrote /opt/cp2k-toolchain/install/arch/local.pdbg ========================== usage ========================= Done! Now copy: cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory To use the installed tools and libraries and cp2k version compiled with it you will first need to execute at the prompt: source /opt/cp2k-toolchain/install/setup To build CP2K you should change directory: cd cp2k/ make -j 30 ARCH=local VERSION="ssmp sdbg psmp pdbg" arch files for GPU enabled CUDA versions are named "local_cuda.*" arch files for GPU enabled HIP versions are named "local_hip.*" arch files for OpenCL (GPU) versions are named "local_opencl.*" arch files for coverage versions are named "local_coverage.*" Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers. It is possible to use the provided CP2K arch files as guidance. Removing intermediate container 5061ed84572a ---> 95a3bd58c8d9 Step 29/42 : WORKDIR /opt/cp2k ---> Running in d849fc5ea0d4 Removing intermediate container d849fc5ea0d4 ---> 92419d93cb4e Step 30/42 : COPY ./Makefile . ---> 13c0e993066f Step 31/42 : COPY ./src ./src ---> 6250d0ed8a67 Step 32/42 : COPY ./exts ./exts ---> 08693ac91409 Step 33/42 : COPY ./tools/build_utils ./tools/build_utils ---> 446f1b86d987 Step 34/42 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local.psmp ./arch/" ---> Running in ed4c5cc052b3 './arch/local.psmp' -> '/opt/cp2k-toolchain/install/arch/local.psmp' Removing intermediate container ed4c5cc052b3 ---> e40050f2c723 Step 35/42 : COPY ./data ./data ---> 298a7ca5a280 Step 36/42 : COPY ./tests ./tests ---> 0b92e24f7b01 Step 37/42 : COPY ./tools/regtesting ./tools/regtesting ---> 74e82260944f Step 38/42 : ARG TESTOPTS="--mpiexec mpiexec" ---> Running in f1d505bb5a0c Removing intermediate container f1d505bb5a0c ---> 2c3ba3a70991 Step 39/42 : COPY ./tools/docker/scripts/test_regtest.sh ./ ---> 6882d891c4a5 Step 40/42 : RUN /bin/bash -o pipefail -c " TESTOPTS='${TESTOPTS}' ./test_regtest.sh 'local' 'psmp' |& tee report.log && rm -rf regtesting" ---> Running in ac98f69e981f Compiling cp2k... done. ./exe/local/cp2k.psmp: Relink `/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/lib/libtensorflow_framework.so.2' with `/lib/x86_64-linux-gnu/libz.so.1' for IFUNC symbol `crc32_z' 2024-07-24 08:40:06.896661: I tensorflow/core/util/port.cc:111] oneDNN custom operations are on. You may see slightly different numerical results due to floating-point round-off errors from different computation orders. To turn them off, set the environment variable `TF_ENABLE_ONEDNN_OPTS=0`. 2024-07-24 08:40:06.899405: I tensorflow/tsl/cuda/cudart_stub.cc:28] Could not find cuda drivers on your machine, GPU will not be used. 2024-07-24 08:40:06.937769: E tensorflow/compiler/xla/stream_executor/cuda/cuda_dnn.cc:9342] Unable to register cuDNN factory: Attempting to register factory for plugin cuDNN when one has already been registered 2024-07-24 08:40:06.937798: E tensorflow/compiler/xla/stream_executor/cuda/cuda_fft.cc:609] Unable to register cuFFT factory: Attempting to register factory for plugin cuFFT when one has already been registered 2024-07-24 08:40:06.937835: E tensorflow/compiler/xla/stream_executor/cuda/cuda_blas.cc:1518] Unable to register cuBLAS factory: Attempting to register factory for plugin cuBLAS when one has already been registered DeePMD-kit: Cannot find libcudart.so.11.0 implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaRegisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaRegisterFunction', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaRegisterFatBinaryEnd', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load ========== Running Regtests ========== WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available Discovering programs ... WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available Removing stale archives for psmp ... Resolving dependencies for psmp ... make -C /opt/cp2k/exts/dbcsr -f /opt/cp2k/exts/build_dbcsr/Makefile \ ARCHFILE=/opt/cp2k/arch/local.psmp \ LIBDIR=/opt/cp2k/lib/local/psmp/exts/dbcsr \ OBJDIR=/opt/cp2k/obj/local/psmp/exts/dbcsr \ USE_ACCEL="" \ ACC="" \ ACCFLAGS="" Removing stale archives ... Resolving dependencies ... WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available echo unknown revision > "/opt/cp2k/obj/git-ref.tmp" --------------------------- GIT ------------------------------------------ CommitSHA: ------------------------- System information ----------------------------- Linux 5.15.154+ x86_64 ldd (Ubuntu GLIBC 2.35-0ubuntu3.8) 2.35 --------------------------- Resource limits ------------------------------ RESOURCE DESCRIPTION SOFT HARD UNITS AS address space limit unlimited unlimited bytes CORE max core file size 0 0 bytes CPU CPU time unlimited unlimited seconds DATA max data size unlimited unlimited bytes FSIZE max file size unlimited unlimited bytes LOCKS max number of file locks held unlimited unlimited locks MEMLOCK max locked-in-memory address space 8388608 8388608 bytes MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 1048576 1048576 files NPROC max number of processes unlimited unlimited processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs SIGPENDING max number of pending signals 483015 483015 signals STACK max stack size unlimited unlimited bytes --------------------------- SELinux -------------------------------------- No SELinux installation found --------------------------- ARCH-file ------------------------------------ CC = /opt/intel/oneapi/mpi/2021.13/bin/mpiicc -cc=icx CXX = /opt/intel/oneapi/mpi/2021.13/bin/mpiicpc -cxx=icpx AR = ar -r FC = /opt/intel/oneapi/mpi/2021.13/bin/mpiifort -fc=ifort LD = /opt/intel/oneapi/mpi/2021.13/bin/mpiifort -fc=ifort # DFLAGS = -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__LIBPEXSI -D__GSL -D__PLUMED2 -D__DEEPMD -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT -D__SPLA -D__SIRIUS -D__DFTD4 # WFLAGS = # FCDEBFLAGS = CFLAGS = -fPIC -fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops $(PROFOPT) -m64 -I/opt/intel/oneapi/mkl/2024.2/include -I'/opt/cp2k-toolchain/install/fftw-3.3.10/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libgrpp-main-20231215/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I'/opt/cp2k-toolchain/install/COSMA-2.6.6/include' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/modules' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/elpa' -I'/opt/cp2k-toolchain/install/scotch-6.0.0/include' -I'/opt/cp2k-toolchain/install/superlu_dist-6.1.0/include' -I'/opt/cp2k-toolchain/install/pexsi-1.2.0/include' -I'/opt/cp2k-toolchain/install/gsl-2.7/include' -I'/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/include' -I/opt/cp2k-toolchain/install/hdf5-1.14.2/include -I/opt/cp2k-toolchain/install/libvdwxc-0.4.0/include -I/opt/cp2k-toolchain/install/spglib-2.3.1/include -I'/opt/cp2k-toolchain/install/SpFFT-1.1.0/include' -I'/opt/cp2k-toolchain/install/SpLA-1.6.1/include/spla' -I/opt/cp2k-toolchain/install/sirius-7.5.2/include -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/dftd4/Intel-2021.0.0.20240602' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/mctc-lib/Intel-2021.0.0.20240602' -std=c11 -Wall $(DFLAGS) CXXFLAGS = -fPIC -fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops $(PROFOPT) -m64 -I/opt/intel/oneapi/mkl/2024.2/include -I'/opt/cp2k-toolchain/install/fftw-3.3.10/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libgrpp-main-20231215/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I'/opt/cp2k-toolchain/install/COSMA-2.6.6/include' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/modules' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/elpa' -I'/opt/cp2k-toolchain/install/scotch-6.0.0/include' -I'/opt/cp2k-toolchain/install/superlu_dist-6.1.0/include' -I'/opt/cp2k-toolchain/install/pexsi-1.2.0/include' -I'/opt/cp2k-toolchain/install/gsl-2.7/include' -I'/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/include' -I/opt/cp2k-toolchain/install/hdf5-1.14.2/include -I/opt/cp2k-toolchain/install/libvdwxc-0.4.0/include -I/opt/cp2k-toolchain/install/spglib-2.3.1/include -I'/opt/cp2k-toolchain/install/SpFFT-1.1.0/include' -I'/opt/cp2k-toolchain/install/SpLA-1.6.1/include/spla' -I/opt/cp2k-toolchain/install/sirius-7.5.2/include -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/dftd4/Intel-2021.0.0.20240602' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/mctc-lib/Intel-2021.0.0.20240602' -std=c++14 -Wall $(DFLAGS) --std=c++14 $(DFLAGS) FCFLAGS = -fPIC -fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops $(PROFOPT) -m64 -I/opt/intel/oneapi/mkl/2024.2/include -I'/opt/cp2k-toolchain/install/fftw-3.3.10/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libgrpp-main-20231215/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I'/opt/cp2k-toolchain/install/COSMA-2.6.6/include' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/modules' -I'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/include/elpa_openmp-2024.03.001/elpa' -I'/opt/cp2k-toolchain/install/scotch-6.0.0/include' -I'/opt/cp2k-toolchain/install/superlu_dist-6.1.0/include' -I'/opt/cp2k-toolchain/install/pexsi-1.2.0/include' -I'/opt/cp2k-toolchain/install/gsl-2.7/include' -I'/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/include' -I/opt/cp2k-toolchain/install/hdf5-1.14.2/include -I/opt/cp2k-toolchain/install/libvdwxc-0.4.0/include -I/opt/cp2k-toolchain/install/spglib-2.3.1/include -I'/opt/cp2k-toolchain/install/SpFFT-1.1.0/include' -I'/opt/cp2k-toolchain/install/SpLA-1.6.1/include/spla' -I/opt/cp2k-toolchain/install/sirius-7.5.2/include -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/dftd4/Intel-2021.0.0.20240602' -I'/opt/cp2k-toolchain/install/dftd4-3.6.0/include/mctc-lib/Intel-2021.0.0.20240602' $(FCDEBFLAGS) $(WFLAGS) $(DFLAGS) -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free -diag-disable=10448 -I/opt/intel/oneapi/2024.1/opt/compiler/include/intel64 # LDFLAGS = $(FCFLAGS) -Wl,--enable-new-dtags -L'/opt/intel/oneapi/mpi/2021.13/lib' -Wl,-rpath,'/opt/intel/oneapi/mpi/2021.13/lib' -L'/opt/cp2k-toolchain/install/fftw-3.3.10/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/fftw-3.3.10/lib' -L'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib' -L'/opt/cp2k-toolchain/install/libxc-6.2.2/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/libxc-6.2.2/lib' -L'/opt/cp2k-toolchain/install/libgrpp-main-20231215/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/libgrpp-main-20231215/lib' -L'/opt/cp2k-toolchain/install/libxsmm-1.17/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/libxsmm-1.17/lib' -L'/opt/cp2k-toolchain/install/COSMA-2.6.6/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/COSMA-2.6.6/lib' -L'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/elpa-2024.03.001/cpu/lib' -L'/opt/cp2k-toolchain/install/scotch-6.0.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/scotch-6.0.0/lib' -L'/opt/cp2k-toolchain/install/superlu_dist-6.1.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/superlu_dist-6.1.0/lib' -L'/opt/cp2k-toolchain/install/pexsi-1.2.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/pexsi-1.2.0/lib' -L'/opt/cp2k-toolchain/install/gsl-2.7/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/gsl-2.7/lib' -L'/opt/cp2k-toolchain/install/plumed-2.9.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/plumed-2.9.0/lib' -L'/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/lib' -Wl,--no-as-needed -ldeepmd_c -Wl,-rpath='/opt/cp2k-toolchain/install/libdeepmd_c-2.2.7/lib' -L'/opt/cp2k-toolchain/install/hdf5-1.14.2/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/hdf5-1.14.2/lib' -L'/opt/cp2k-toolchain/install/libvdwxc-0.4.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/libvdwxc-0.4.0/lib' -L'/opt/cp2k-toolchain/install/spglib-2.3.1/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/spglib-2.3.1/lib' -L'/opt/cp2k-toolchain/install/libvori-220621/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/libvori-220621/lib' -L'/opt/cp2k-toolchain/install/SpFFT-1.1.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/SpFFT-1.1.0/lib' -L'/opt/cp2k-toolchain/install/SpLA-1.6.1/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/SpLA-1.6.1/lib' -L'/opt/cp2k-toolchain/install/sirius-7.5.2/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/sirius-7.5.2/lib' -L'/opt/cp2k-toolchain/install/dftd4-3.6.0/lib' -Wl,-rpath,'/opt/cp2k-toolchain/install/dftd4-3.6.0/lib' LDFLAGS_C = -nofor-main LIBS = -ldftd4 -lmstore -lmulticharge -lmctc-lib -lsirius -lspla -lspfft -lsymspg -lvdwxc -l:libhdf5_fortran.a -l:libhdf5_f90cstub.a -l:libhdf5.a -lz -l:libplumed.a -ldl -lstdc++ -lz -ldl -lgsl -lpexsi -lsuperlu_dist -lptscotchparmetis -lptscotch -lptscotcherr -lscotchmetis -lscotch -lscotcherr -lelpa_openmp -lcosma_prefixed_pxgemm -lcosma -lcosta -lxsmmf -lxsmm -ldl -lpthread -llibgrpp -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi -lmpicxx -L/opt/intel/oneapi/mkl/2024.2/lib/intel64 -Wl,-rpath,/opt/intel/oneapi/mkl/2024.2/lib/intel64 -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group -lpthread -lm -ldl -ldeepmd_c -lstdc++ -lvori -lstdc++ -lstdc++ # FYPPFLAGS = -n --line-marker-format=gfortran5 # # Required due to memory leak that occurs if high optimisations are used mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F $(FC) -c $(subst -O2,-O0,$(FCFLAGS)) $< # Required due to SEGFAULTS occurring for higher optimisation levels paw_basis_types.o: paw_basis_types.F $(FC) -c $(subst -O2,-O1,$(FCFLAGS)) $< # Reduce compilation time hfx_contraction_methods.o: hfx_contraction_methods.F $(FC) -c $(subst -O2,-O1,$(FCFLAGS)) $< -------------------------- Build-Tools ----------------------------------- WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available =========== FC (psmp) =========== /opt/intel/oneapi/mpi/2021.13/bin/mpiifort -fc=ifort --version ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message. ifort (IFORT) 2021.13.0 20240602 Copyright (C) 1985-2024 Intel Corporation. All rights reserved. =========== CC (psmp) =========== /opt/intel/oneapi/mpi/2021.13/bin/mpiicc -cc=icx --version Intel(R) oneAPI DPC++/C++ Compiler 2024.2.0 (2024.2.0.20240602) Target: x86_64-unknown-linux-gnu Thread model: posix InstalledDir: /opt/intel/oneapi/compiler/2024.2/bin/compiler Configuration file: /opt/intel/oneapi/compiler/2024.2/bin/compiler/../icx.cfg =========== AR (psmp) =========== ar V GNU ar (GNU Binutils for Ubuntu) 2.38 Copyright (C) 2022 Free Software Foundation, Inc. This program is free software; you may redistribute it under the terms of the GNU General Public License version 3 or (at your option) any later version. This program has absolutely no warranty. ========== Make (psmp) ========== make --version GNU Make 4.3 Built for x86_64-pc-linux-gnu Copyright (C) 1988-2020 Free Software Foundation, Inc. License GPLv3+: GNU GPL version 3 or later This is free software: you are free to change and redistribute it. There is NO WARRANTY, to the extent permitted by law. ========= Python (psmp) ========= /usr/bin/env python3 --version Python 3.10.12 ----------------------- External Modules --------------------------------- WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available DBCSR Version: 2.7.0-rc2 (2024-06-27) ---------------------------- Modules ------------------------------------- Module system not installed. WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available *************************** Testing started **************************** ----------------------------- Settings --------------------------------- MPI ranks: 2 OpenMP threads: 2 GPU devices: 0 Workers: 7 Timeout [s]: 400 Work base dir: /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13 MPI exec: mpiexec Smoke test: False Valgrind: False Keepalive: False Flag slow: False Debug: False ARCH: local VERSION: psmp Flags: omp,libint,fftw3,libxc,libgrpp,pexsi,elpa,parallel,mpi_f08,scalapack,cosma,deepmd,xsmm,plumed2,spglib,mkl,libdftd4,sirius,libvori,libbqb,libvdwxc,hdf5 ------------------------------------------------------------------------ Copying test files ... done Skipping UNIT/nequip_unittest because its requirements are not satisfied. Skipping TMC/regtest_ana_on_the_fly because its requirements are not satisfied. Skipping QS/regtest-cusolver because its requirements are not satisfied. Skipping QS/regtest-dlaf because its requirements are not satisfied. Skipping Fist/regtest-quip because its requirements are not satisfied. Skipping Fist/regtest-nequip because its requirements are not satisfied. Skipping Fist/regtest-allegro because its requirements are not satisfied. Launched 361 test directories and 7 worker... >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/memory_utilities_unittest memory_utilities_unittest - OK ( 1.38 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/memory_utilities_unittest (1 of 361) done in 1.38 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/parallel_rng_types_unittest parallel_rng_types_unittest - OK ( 2.55 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/parallel_rng_types_unittest (2 of 361) done in 2.55 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/grid_unittest grid_unittest - OK ( 4.20 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/grid_unittest (3 of 361) done in 4.20 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/libcp2k_unittest libcp2k_unittest - OK ( 293.05 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/libcp2k_unittest (4 of 361) done in 293.05 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/dbt_tas_unittest dbt_tas_unittest - OK ( 304.81 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/dbt_tas_unittest (5 of 361) done in 304.81 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/dbt_unittest dbt_unittest - OK ( 332.74 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/UNIT/dbt_unittest (6 of 361) done in 332.74 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-fftw-wisdom test_wisdom_export.inp -1.088792074 OK ( 320.68 sec) test_wisdom_import.inp -1.088792074 OK ( 323.28 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-fftw-wisdom (7 of 361) done in 643.97 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-wfn-restart H2O-wfn-restart-check.inp -17.15216015 OK ( 249.03 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-wfn-restart (8 of 361) done in 249.03 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp ICl_lanl2dz_gpw.inp -23.51591109 OK ( 327.80 sec) Rn_stuttgart_gapw.inp -25.63230481 OK ( 362.56 sec) SbH3_def2_gapw.inp -212.3576709 OK ( 358.80 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp (9 of 361) done in 1049.16 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dft-vdw-corr-4 pbe_dftd4.inp - TIMED OUT ( 400.34 sec) pbe_dftd4_force.inp - TIMED OUT ( 400.33 sec) pbe_dftd4_stress.inp -0.005162893129 OK ( 317.83 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dft-vdw-corr-4 (10 of 361) done in 1118.50 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/Fist/regtest-water H2O-SPC-6x6x6.inp -2.625694849 OK ( 325.62 sec) H2O-SPCE-6x6x6.inp -2.788950628 OK ( 331.53 sec) H2O-TIP3P-6x6x6.inp -2.705344234 OK ( 320.91 sec) H2O-TIP3P_FLEXIBLE-6x6x6.inp -2.635732373 OK ( 279.56 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/Fist/regtest-water (11 of 361) done in 1257.62 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3 h2_gpw_nostore_group2.inp - RUNTIME FAIL ( 191.46 sec) h2_gpw_nostore_group2.inp - RUNTIME FAIL ( 180.03 sec) h2_gpw_ht_group2.inp - RUNTIME FAIL ( 185.46 sec) h2_gpw_ht_group2.inp - RUNTIME FAIL ( 180.87 sec) h2_gpw_ht_nostore_group2.inp - RUNTIME FAIL ( 184.09 sec) h2_gpw_ht_nostore_group2.inp - RUNTIME FAIL ( 193.01 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3 (12 of 361) done in 1114.92 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp-2 ICl_lanl2dz_gpw.inp - TIMED OUT ( 400.37 sec) Rn_stuttgart_gapw.inp 0.3564703767 OK ( 391.76 sec) SbH3_def2_gapw.inp - TIMED OUT ( 400.39 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp-2 (13 of 361) done in 1192.51 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad RI_RPA_grad_MP2_H2O.inp - RUNTIME FAIL ( 247.11 sec) RI_RPA_grad_MP2_CH3.inp - TIMED OUT ( 400.28 sec) RI_RPA_grad_MP2_H2O_HF_PBE.inp - RUNTIME FAIL ( 213.65 sec) RI_RPA_grad_MP2_H2O_HF_PBE_ADMM.inp - TIMED OUT ( 400.39 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad (14 of 361) done in 1261.43 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad RI_laplace_MP2_H2O.inp - RUNTIME FAIL ( 304.30 sec) RI_laplace_MP2_H2O_degen.inp - RUNTIME FAIL ( 258.01 sec) RI_laplace_MP2_CH3.inp - TIMED OUT ( 400.57 sec) RI_laplace_MP2_H2O_id.inp - RUNTIME FAIL ( 258.63 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad (15 of 361) done in 1221.50 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx N2_t01.inp - TIMED OUT ( 400.50 sec) N2_t02.inp - TIMED OUT ( 400.54 sec) N2_t03.inp - TIMED OUT ( 400.48 sec) N2_t04.inp - TIMED OUT ( 400.50 sec) N2_t05.inp - TIMED OUT ( 400.47 sec) N2_t06.inp - TIMED OUT ( 400.47 sec) N2_t07.inp - TIMED OUT ( 400.48 sec) N2_t08.inp - TIMED OUT ( 400.48 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx (16 of 361) done in 3203.91 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2 h2_gpw_nostore.inp - TIMED OUT ( 400.40 sec) h2_gpw_nostore.inp - TIMED OUT ( 400.41 sec) h2_gpw_ht.inp - TIMED OUT ( 400.45 sec) h2_gpw_ht.inp - TIMED OUT ( 400.48 sec) h2_gpw_ht_nostore.inp - TIMED OUT ( 400.47 sec) h2_gpw_ht_nostore.inp - TIMED OUT ( 400.40 sec) h2_gpw_nostore_group.inp - TIMED OUT ( 400.45 sec) h2_gpw_nostore_group.inp - TIMED OUT ( 400.47 sec) h2_gpw_ht_group.inp - TIMED OUT ( 400.47 sec) h2_gpw_ht_group.inp - TIMED OUT ( 400.41 sec) h2_gpw_ht_nostore_group.inp - TIMED OUT ( 400.39 sec) h2_gpw_ht_nostore_group.inp - TIMED OUT ( 400.46 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2 (17 of 361) done in 4805.26 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2 O2_dyn.inp - TIMED OUT ( 400.53 sec) O2_dyn_mme.inp - TIMED OUT ( 400.59 sec) CH_dyn_screen.inp - TIMED OUT ( 400.53 sec) CH_dyn_screen_single_group.inp - TIMED OUT ( 400.58 sec) MOM_MP2_geoopt.inp - TIMED OUT ( 400.61 sec) H2O_MD_mme.inp - TIMED OUT ( 400.58 sec) O2_dyn_ri-hfx.inp - TIMED OUT ( 400.39 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2 (18 of 361) done in 2803.81 sec >>> /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers H2O_grad_cg.inp - TIMED OUT ( 400.57 sec) H2O_grad_sd.inp - TIMED OUT ( 400.62 sec) H2O_grad_pr.inp - TIMED OUT ( 400.53 sec) H2O_grad_richardson.inp - TIMED OUT ( 400.61 sec) H2O_grad_cg_enforce.inp - TIMED OUT ( 400.64 sec) H2O_grad_cg_recalc.inp - TIMED OUT ( 400.64 sec) <<< /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers (19 of 361) done in 2403.60 sec Got more than 50 errors, aborting... ------------------------------- Errors --------------------------------- xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dft-vdw-corr-4/pbe_dftd4.inp.out libmpi.so.12.0.0 00001237640734D1 Unknown Unknown Unknown libmpi.so.12.0.0 000012376405E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001237641634C1 Unknown Unknown Unknown libmpi.so.12.0.0 0000123763F4682E PMPI_Alltoall Unknown Unknown libmpifort.so.12. 000012375CEF565E Unknown Unknown Unknown libmpifort.so.12. 000012375CE5D890 mpi_alltoall_f08t Unknown Unknown cp2k.psmp 0000000003836022 dbcsr_mpiwrap_mp_ 2989 dbcsr_mpiwrap.F cp2k.psmp 00000000039AC2DA dbcsr_mm_cannon_m 532 dbcsr_mm_cannon.F libiomp5.so 000012375CB36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000012375CAC5273 Unknown Unknown Unknown libiomp5.so 000012375CABE76B __kmp_fork_call Unknown Unknown libiomp5.so 000012375CA7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000039AE6C2 dbcsr_mm_cannon_m 455 dbcsr_mm_cannon.F cp2k.psmp 00000000039A8940 dbcsr_mm_cannon_m 283 dbcsr_mm_cannon.F cp2k.psmp 00000000039A7D3F dbcsr_mm_cannon_m 185 dbcsr_mm_cannon.F cp2k.psmp 000000000391C2B1 dbcsr_mm_mp_dbcsr 873 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 000000000205B27E qs_ot_mp_qs_ot_ge 1186 qs_ot.F cp2k.psmp 000000000205A807 qs_ot_mp_qs_ot_ge 1105 qs_ot.F cp2k.psmp 0000000002285235 qs_ot_minimizer_m 88 qs_ot_minimizer.F cp2k.psmp 00000000024474DC qs_ot_scf_mp_ot_s 276 qs_ot_scf.F cp2k.psmp 000000000253F91C qs_scf_loop_utils 424 qs_scf_loop_utils.F cp2k.psmp 000000000253ECC3 qs_scf_loop_utils 266 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B867 cp2k_runs_mp_cp2k 359 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012375C800D90 Unknown Unknown Unknown libc.so.6 000012375C800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000123687219520 Unknown Unknown Unknown libc.so.6 00001236872FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000012364DA1A8EC Unknown Unknown Unknown libtcp-fi.so 000012364DA17DC5 Unknown Unknown Unknown libtcp-fi.so 000012364DA2FA30 Unknown Unknown Unknown libtcp-fi.so 000012364DA13839 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EE02393 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EB17D5A Unknown Unknown Unknown libmpi.so.12.0.0 000012368EB18028 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EEA3270 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EC067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EC0FAF3 Unknown Unknown Unknown libmpi.so.12.0.0 000012368E8F303F Unknown Unknown Unknown libmpi.so.12.0.0 000012368E8F1988 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EA734D1 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EA5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000012368EB634C1 Unknown Unknown Unknown libmpi.so.12.0.0 000012368E94682E PMPI_Alltoall Unknown Unknown libmpifort.so.12. 00001236878F565E Unknown Unknown Unknown libmpifort.so.12. 000012368785D890 mpi_alltoall_f08t Unknown Unknown cp2k.psmp 0000000003836022 dbcsr_mpiwrap_mp_ 2989 dbcsr_mpiwrap.F cp2k.psmp 00000000039AC2DA dbcsr_mm_cannon_m 532 dbcsr_mm_cannon.F libiomp5.so 0000123687536C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 00001236874C5273 Unknown Unknown Unknown libiomp5.so 00001236874BE76B __kmp_fork_call Unknown Unknown libiomp5.so 000012368747FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000039AE6C2 dbcsr_mm_cannon_m 455 dbcsr_mm_cannon.F cp2k.psmp 00000000039A8940 dbcsr_mm_cannon_m 283 dbcsr_mm_cannon.F cp2k.psmp 00000000039A7D3F dbcsr_mm_cannon_m 185 dbcsr_mm_cannon.F cp2k.psmp 000000000391C2B1 dbcsr_mm_mp_dbcsr 873 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 000000000205B27E qs_ot_mp_qs_ot_ge 1186 qs_ot.F cp2k.psmp 000000000205A807 qs_ot_mp_qs_ot_ge 1105 qs_ot.F cp2k.psmp 0000000002285235 qs_ot_minimizer_m 88 qs_ot_minimizer.F cp2k.psmp 00000000024474DC qs_ot_scf_mp_ot_s 276 qs_ot_scf.F cp2k.psmp 000000000253F91C qs_scf_loop_utils 424 qs_scf_loop_utils.F cp2k.psmp 000000000253ECC3 qs_scf_loop_utils 266 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B867 cp2k_runs_mp_cp2k 359 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000123687200D90 Unknown Unknown Unknown libc.so.6 0000123687200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.33713250100027 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dft-vdw-corr-4/pbe_dftd4_force.inp.out libmpi.so.12.0.0 00000F87C7E5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00000F87C7F6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000F87C7D49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000F87C0C5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB740 message_passing_m 222 message_passing.fypp cp2k.psmp 000000000341E44E fft_tools_mp_yz_t 1580 fft_tools.F cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E281 rs_pw_interface_m 111 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 00000000025425B9 qs_scf_loop_utils 631 qs_scf_loop_utils.F cp2k.psmp 000000000197FE7A qs_scf_mp_scf_env 560 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F87C0600D90 Unknown Unknown Unknown libc.so.6 00000F87C0600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001084F2219520 Unknown Unknown Unknown libc.so.6 00001084F22FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00001084B8A1A8EC Unknown Unknown Unknown libtcp-fi.so 00001084B8A17DC5 Unknown Unknown Unknown libtcp-fi.so 00001084B8A2FA30 Unknown Unknown Unknown libtcp-fi.so 00001084B8A13839 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9E02393 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9B17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9B18028 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9EA3270 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9C067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9C0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F99299CF Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9B631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9B74235 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9A5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9A5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9B6375C Unknown Unknown Unknown libmpi.so.12.0.0 00001084F9949982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00001084F285DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB740 message_passing_m 222 message_passing.fypp cp2k.psmp 000000000341E44E fft_tools_mp_yz_t 1580 fft_tools.F cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E281 rs_pw_interface_m 111 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 00000000025425B9 qs_scf_loop_utils 631 qs_scf_loop_utils.F cp2k.psmp 000000000197FE7A qs_scf_mp_scf_env 560 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001084F2200D90 Unknown Unknown Unknown libc.so.6 00001084F2200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3292850519997 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_nostore_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 11.7 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 14.1 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 14.1 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 14.0 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 14.3 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 14.8 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 15.0 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 14.3 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 14.6 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method GPW Fourier transform over MOs ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_nostore_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 11.4 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 13.2 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 13.4 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 13.3 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 13.6 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 13.5 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 12.7 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 14.1 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 13.2 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method GPW Fourier transform over MOs ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_ht_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 11.7 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 13.2 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 13.8 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 13.8 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 13.6 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 13.8 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 14.4 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 14.0 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 13.8 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method Half transformed integrals from GPW ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_ht_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 10.9 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 13.6 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 13.4 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 13.4 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 13.7 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 13.5 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 13.7 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 13.6 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 13.6 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method Half transformed integrals from GPW ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_ht_nostore_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 10.6 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 14.1 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 12.5 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 13.6 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 13.5 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 13.8 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 13.7 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 14.0 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 13.8 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method Half transformed integrals from GPW ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-3/h2_gpw_ht_nostore_group2.inp.out 3 2 H 1s 0.211771 0.139016 1.227524 0.219046 4 2 H 2s 0.139016 0.176685 0.219046 0.229367 Number of electrons: 2 Number of occupied orbitals: 1 Number of molecular orbitals: 4 Number of orbital functions: 4 Number of independent orbital functions: 4 Extrapolation method: initial_guess SCF WAVEFUNCTION OPTIMIZATION Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 P_Mix/Diag. 0.40E+00 12.2 0.33025369 -0.8541660765 -8.54E-01 2 P_Mix/Diag. 0.40E+00 14.1 0.20481420 -0.9576693223 -1.04E-01 3 P_Mix/Diag. 0.40E+00 15.7 0.12713073 -1.0229841424 -6.53E-02 4 P_Mix/Diag. 0.40E+00 14.5 0.07901702 -1.0634396759 -4.05E-02 5 DIIS/Diag. 0.77E-02 13.3 0.05244428 -1.0882158819 -2.48E-02 6 DIIS/Diag. 0.61E-03 15.2 0.00044971 -1.1262263435 -3.80E-02 7 DIIS/Diag. 0.62E-03 14.6 0.00025094 -1.1262263399 3.55E-09 8 DIIS/Diag. 0.67E-04 14.2 0.00001696 -1.1262264592 -1.19E-07 9 DIIS/Diag. 0.20E-04 13.9 0.00000740 -1.1262264604 -1.27E-09 *** SCF run converged in 9 steps *** Electronic density on regular grids: -2.0000000032 -0.0000000032 Core density on regular grids: 1.9999999999 -0.0000000001 Total charge density on r-space grids: -0.0000000034 Total charge density g-space grids: -0.0000000034 Overlap energy of the core charge distribution: 0.00000097822991 Self energy of the core charge distribution: -2.86855769355278 Core Hamiltonian energy: 0.99173883813063 Hartree energy: 1.40955665081173 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -0.65896523406730 Total energy: -1.12622646044782 !-----------------------------------------------------------------------------! Generate Active Space Hamiltonian Interface to CAS-CI and DMRG-CI !-----------------------------------------------------------------------------! Hartree-Fock model for interaction Hamiltonian System is treated without periodicity Total number of electrons 2 Number of inactive electrons 0 Number of active electrons 2 Active space orbitals selected using energy ordered canonical orbitals Number of inactive orbitals 0 Number of active orbitals 2 Calculating virtual MOs... OT| Eigensolver reached convergence in 1 iterations Canonical Orbital Selection for spin 1 [atomic units] -0.605580 [A] 0.241305 [A] Active Orbital Indices for spin 1 1 2 Calculation of Electron Repulsion Integrals Integration method Half transformed integrals from GPW ERI operator Coulomb <1/R> Accuracy of ERI 0.1000E-11 Periodicity 0 0 0 Total Number of ERI 2 ERI_GPW| Energy cutoff [Ry] 500.0 ERI_GPW| Relative energy cutoff [Ry] 50.0 ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Group size must be a divisor of the total number of processes! * * | * * O/| * * /| | * * / \ qs_active_space_methods.F:1267 * ******************************************************************************* ===== Routine Calling Stack ===== 4 calculate_eri_gpw 3 active_space_main 2 qs_energies 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp-2/ICl_lanl2dz_gpw.inp.out libmpi.so.12.0.0 00000EF790B74235 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF790A5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF790A5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF790B6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000EF790949982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000EF78985DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000B80FCB cp2k_debug_mp_cp2 317 cp2k_debug.F cp2k.psmp 000000000068B69C cp2k_runs_mp_cp2k 405 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EF789200D90 Unknown Unknown Unknown libc.so.6 00000EF789200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000013D594219520 Unknown Unknown Unknown libc.so.6 000013D5942FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000013D55AA1A8EC Unknown Unknown Unknown libtcp-fi.so 000013D55AA17DC5 Unknown Unknown Unknown libtcp-fi.so 000013D55AA2FA30 Unknown Unknown Unknown libtcp-fi.so 000013D55AA13839 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BE02393 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BB17D5A Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BB18028 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BEA3270 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BC067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BC0A224 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59B9299CF Unknown Unknown Unknown libmpi.so.12.0.0 000013D59B928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BB631E7 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BB74235 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BA5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BA5E769 Unknown Unknown Unknown libmpi.so.12.0.0 000013D59BB6375C Unknown Unknown Unknown libmpi.so.12.0.0 000013D59B949982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000013D59485DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000B80FCB cp2k_debug_mp_cp2 317 cp2k_debug.F cp2k.psmp 000000000068B69C cp2k_runs_mp_cp2k 405 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013D594200D90 Unknown Unknown Unknown libc.so.6 000013D594200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3650636520001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ecp-2/SbH3_def2_gapw.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000140E1E019520 Unknown Unknown Unknown libmpi.so.12.0.0 0000140E2594E082 Unknown Unknown Unknown libmpi.so.12.0.0 0000140E2594EF74 Unknown Unknown Unknown libmpi.so.12.0.0 0000140E2586E4EB Unknown Unknown Unknown libmpi.so.12.0.0 0000140E2585E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000140E2596336D Unknown Unknown Unknown libmpi.so.12.0.0 0000140E25743D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000140E1E6F53C0 Unknown Unknown Unknown libmpifort.so.12. 0000140E1E65D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7232 timings_report_mp 192 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000140E1E000D90 Unknown Unknown Unknown libc.so.6 0000140E1E000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F4D0CE19520 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D1474C632 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D1474D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D1467FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D1465E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D1476336D Unknown Unknown Unknown libmpi.so.12.0.0 00000F4D14543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000F4D0D4F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000F4D0D45D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7232 timings_report_mp 192 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F4D0CE00D90 Unknown Unknown Unknown libc.so.6 00000F4D0CE00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000011EE73E19520 Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B74C632 Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B74D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B67FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B65E779 Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B76336D Unknown Unknown Unknown libmpi.so.12.0.0 000011EE7B543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000011EE744F53C0 Unknown Unknown Unknown libmpifort.so.12. 000011EE7445D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7232 timings_report_mp 192 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011EE73E00D90 Unknown Unknown Unknown libc.so.6 000011EE73E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.39195133700014 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad/RI_RPA_grad_MP2_H2O.inp.out cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001462C0800D90 Unknown Unknown Unknown libc.so.6 00001462C0800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libc.so.6 00000F923EC19520 Unknown Unknown Unknown libiomp5.so 00000F923EF42F34 Unknown Unknown Unknown cp2k.psmp 0000000007F9245C Unknown Unknown Unknown cp2k.psmp 0000000002B40EDA rpa_grad_mp_derep 2774 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E7040 mp2_mp_mp2_main_ 606 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F923EC00D90 Unknown Unknown Unknown libc.so.6 00000F923EC00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 7 PID 32935 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 8 PID 32936 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 9 PID 32937 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 10 PID 32938 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 11 PID 32939 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 12 PID 32940 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 13 PID 32941 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 14 PID 32942 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== Runtime failure with code 255. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad/RI_RPA_grad_MP2_CH3.inp.out cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000118C15200D90 Unknown Unknown Unknown libc.so.6 0000118C15200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000010D272C19520 Unknown Unknown Unknown cp2k.psmp 0000000002C36F32 ortho_cxy_to_grid 178 grid_cpu_collint.h cp2k.psmp 0000000002C368F0 ortho_cxyz_to_gri 489 grid_cpu_collint.h cp2k.psmp 0000000002C34EC1 cab_to_grid 1032 grid_cpu_collint.h cp2k.psmp 0000000002C31C46 grid_cpu_integrat 74 grid_cpu_integrate.c cp2k.psmp 0000000002C451D3 integrate_one_gri 541 grid_cpu_task_list.c libiomp5.so 000010D272F36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000010D272EC5273 Unknown Unknown Unknown libiomp5.so 000010D272EBE76B __kmp_fork_call Unknown Unknown libiomp5.so 000010D272E7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 0000000002C440F3 grid_cpu_integrat 472 grid_cpu_task_list.c cp2k.psmp 0000000002C15978 grid_integrate_ta 317 grid_task_list.c cp2k.psmp 0000000002C14AA6 grid_api_mp_grid_ 1116 grid_api.F cp2k.psmp 00000000011A30C2 qs_integrate_pote 739 qs_integrate_potential_product.F cp2k.psmp 00000000027649F7 mp2_eri_gpw_mp_mp 148 mp2_eri_gpw.F cp2k.psmp 000000000253164F mp2_integrals_mp_ 600 mp2_integrals.F cp2k.psmp 0000000002183E21 mp2_gpw_mp_mp2_gp 376 mp2_gpw.F cp2k.psmp 00000000021E7040 mp2_mp_mp2_main_ 606 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010D272C00D90 Unknown Unknown Unknown libc.so.6 000010D272C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F2344219520 Unknown Unknown Unknown cp2k.psmp 00000000038300EB dbcsr_mpiwrap_mp_ 1625 dbcsr_mpiwrap.F cp2k.psmp 000000000382FF73 dbcsr_mpiwrap_mp_ 1571 dbcsr_mpiwrap.F cp2k.psmp 00000000039B7C3E dbcsr_mm_cannon_m 1692 dbcsr_mm_cannon.F libiomp5.so 00000F2344536C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 00000F23444C5273 Unknown Unknown Unknown libiomp5.so 00000F23444BE76B __kmp_fork_call Unknown Unknown libiomp5.so 00000F234447FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000039BE2F4 dbcsr_mm_cannon_m 1649 dbcsr_mm_cannon.F cp2k.psmp 000000000391C421 dbcsr_mm_mp_dbcsr 925 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 00000000025343F7 mp2_integrals_mp_ 1182 mp2_integrals.F cp2k.psmp 00000000025317A7 mp2_integrals_mp_ 605 mp2_integrals.F cp2k.psmp 0000000002183E21 mp2_gpw_mp_mp2_gp 376 mp2_gpw.F cp2k.psmp 00000000021E7040 mp2_mp_mp2_main_ 606 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F2344200D90 Unknown Unknown Unknown libc.so.6 00000F2344200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.2849509980001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad/RI_RPA_grad_MP2_H2O_HF_PBE.inp.out cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000134BFF200D90 Unknown Unknown Unknown libc.so.6 0000134BFF200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libc.so.6 00000E5F78C19520 Unknown Unknown Unknown cp2k.psmp 0000000002B44E08 rpa_grad_mp_get_e 2832 rpa_grad.F cp2k.psmp 0000000002B3F388 rpa_grad_mp_derep 2653 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E7040 mp2_mp_mp2_main_ 606 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E5F78C00D90 Unknown Unknown Unknown libc.so.6 00000E5F78C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libc.so.6 00000E8C19019520 Unknown Unknown Unknown libiomp5.so 00000E8C19342F34 Unknown Unknown Unknown cp2k.psmp 0000000007F9245C Unknown Unknown Unknown cp2k.psmp 0000000002B40EDA rpa_grad_mp_derep 2774 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E7040 mp2_mp_mp2_main_ 606 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E8C19000D90 Unknown Unknown Unknown libc.so.6 00000E8C19000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 10 PID 33428 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 11 PID 33429 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 13 PID 33431 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 14 PID 33432 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== Runtime failure with code 255. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-ri-rpa-grad/RI_RPA_grad_MP2_H2O_HF_PBE_ADMM.inp.out libmpi.so.12.0.0 000011D0F965E769 Unknown Unknown Unknown libmpi.so.12.0.0 000011D0F976375C Unknown Unknown Unknown libmpi.so.12.0.0 000011D0F9549982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000011D0F245DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037AE509 message_passing_m 171 message_passing.fypp cp2k.psmp 000000000357C86F ps_wavelet_method 281 ps_wavelet_methods.F cp2k.psmp 0000000003476678 pw_poisson_method 656 pw_poisson_methods.F cp2k.psmp 0000000000D5FA3D qs_ks_methods_mp_ 396 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011D0F1E00D90 Unknown Unknown Unknown libc.so.6 000011D0F1E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000149969C19520 Unknown Unknown Unknown libc.so.6 0000149969CFCE2E epoll_wait Unknown Unknown libtcp-fi.so 000014993041A8EC Unknown Unknown Unknown libtcp-fi.so 0000149930417DC5 Unknown Unknown Unknown libtcp-fi.so 000014993042FA30 Unknown Unknown Unknown libtcp-fi.so 0000149930413839 Unknown Unknown Unknown libmpi.so.12.0.0 0000149971802393 Unknown Unknown Unknown libmpi.so.12.0.0 0000149971517D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000149971518028 Unknown Unknown Unknown libmpi.so.12.0.0 00001499718A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00001499716067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000014997160A224 Unknown Unknown Unknown libmpi.so.12.0.0 00001499713299CF Unknown Unknown Unknown libmpi.so.12.0.0 0000149971328AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00001499715631E7 Unknown Unknown Unknown libmpi.so.12.0.0 0000149971574235 Unknown Unknown Unknown libmpi.so.12.0.0 000014997145E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000014997145E769 Unknown Unknown Unknown libmpi.so.12.0.0 000014997156375C Unknown Unknown Unknown libmpi.so.12.0.0 0000149971349982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000014996A25DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037AE509 message_passing_m 171 message_passing.fypp cp2k.psmp 000000000357C86F ps_wavelet_method 281 ps_wavelet_methods.F cp2k.psmp 0000000003476678 pw_poisson_method 656 pw_poisson_methods.F cp2k.psmp 0000000000D5FA3D qs_ks_methods_mp_ 396 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000149969C00D90 Unknown Unknown Unknown libc.so.6 0000149969C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3856959470004 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad/RI_laplace_MP2_H2O.inp.out cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000FF1DA600D90 Unknown Unknown Unknown libc.so.6 00000FF1DA600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libc.so.6 0000111052019520 Unknown Unknown Unknown cp2k.psmp 0000000002B44E08 rpa_grad_mp_get_e 2832 rpa_grad.F cp2k.psmp 0000000002B3F388 rpa_grad_mp_derep 2653 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E6FA7 mp2_mp_mp2_main_ 621 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000111052000D90 Unknown Unknown Unknown libc.so.6 0000111052000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 7 PID 33005 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 8 PID 33006 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 9 PID 33007 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 10 PID 33008 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 11 PID 33009 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 12 PID 33010 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 13 PID 33011 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 14 PID 33012 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== Runtime failure with code 255. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad/RI_laplace_MP2_H2O_degen.inp.out cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000FB72EA00D90 Unknown Unknown Unknown libc.so.6 00000FB72EA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libc.so.6 000014917EA19520 Unknown Unknown Unknown libiomp5.so 000014917ED42F34 Unknown Unknown Unknown cp2k.psmp 0000000007F9245C Unknown Unknown Unknown cp2k.psmp 0000000002B40EDA rpa_grad_mp_derep 2774 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E6FA7 mp2_mp_mp2_main_ 621 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000014917EA00D90 Unknown Unknown Unknown libc.so.6 000014917EA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 7 PID 33215 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 8 PID 33216 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 9 PID 33217 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 10 PID 33218 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 11 PID 33219 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 12 PID 33220 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 13 PID 33221 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 14 PID 33222 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== Runtime failure with code 255. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad/RI_laplace_MP2_CH3.inp.out cp2k.psmp 0000000004A45B66 elpa_impl_mp_elpa 615 manually_preprocessed_.._src_elpa_impl.F90-src_libelpa_openmp_private_la-elpa_impl.o.F90 cp2k.psmp 00000000035F655E cp_fm_elpa_mp_cp_ 500 cp_fm_elpa.F cp2k.psmp 00000000035F4F6F cp_fm_elpa_mp_cp_ 300 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011E83A200D90 Unknown Unknown Unknown libc.so.6 000011E83A200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000FE8C8619520 Unknown Unknown Unknown libc.so.6 00000FE8C86FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000FE88EE1A8EC Unknown Unknown Unknown libtcp-fi.so 00000FE88EE17DC5 Unknown Unknown Unknown libtcp-fi.so 00000FE88EE2FA30 Unknown Unknown Unknown libtcp-fi.so 00000FE88EE13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8D0202393 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFF17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFF18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8D02A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8D00067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8D000A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFD299CF Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFD28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFF631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFF62E2D Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFFCB553 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFFCB29F Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFFC3028 Unknown Unknown Unknown libmpi.so.12.0.0 00000FE8CFFC2C1F PMPI_Comm_split Unknown Unknown libmpifort.so.12. 00000FE8C8CF7E0F mpi_comm_split__ Unknown Unknown cp2k.psmp 0000000004A45B66 elpa_impl_mp_elpa 615 manually_preprocessed_.._src_elpa_impl.F90-src_libelpa_openmp_private_la-elpa_impl.o.F90 cp2k.psmp 00000000035F655E cp_fm_elpa_mp_cp_ 500 cp_fm_elpa.F cp2k.psmp 00000000035F4F6F cp_fm_elpa_mp_cp_ 300 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000FE8C8600D90 Unknown Unknown Unknown libc.so.6 00000FE8C8600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5663976749993 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-sos-mp2-grad/RI_laplace_MP2_H2O_id.inp.out cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DF53BC00D90 Unknown Unknown Unknown libc.so.6 00000DF53BC00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: severe (153): allocatable array or pointer is not allocated Image PC Routine Line Source cp2k.psmp 0000000002B40EDA rpa_grad_mp_derep 2774 rpa_grad.F cp2k.psmp 0000000002B3C64D rpa_grad_mp_rpa_g 2092 rpa_grad.F cp2k.psmp 0000000002727157 rpa_main_mp_rpa_n 1779 rpa_main.F cp2k.psmp 000000000271A7E9 rpa_main_mp_rpa_r 618 rpa_main.F cp2k.psmp 0000000002183168 mp2_gpw_mp_mp2_gp 523 mp2_gpw.F cp2k.psmp 00000000021E6FA7 mp2_mp_mp2_main_ 621 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DC767A00D90 Unknown Unknown Unknown libc.so.6 00000DC767A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 7 PID 33635 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 8 PID 33636 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 9 PID 33637 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 10 PID 33638 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 11 PID 33639 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 12 PID 33640 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 13 PID 33641 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 14 PID 33642 RUNNING AT ac98f69e981f = KILLED BY SIGNAL: 9 (Killed) =================================================================================== Runtime failure with code 255. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t01.inp.out libmpi.so.12.0.0 00000DB518DCB553 Unknown Unknown Unknown libmpi.so.12.0.0 00000DB518DCB29F Unknown Unknown Unknown libmpi.so.12.0.0 00000DB518DBA566 Unknown Unknown Unknown libmpi.so.12.0.0 00000DB518DB9B18 MPI_Comm_create Unknown Unknown libmkl_blacs_inte 00000DB5189E5F10 MKLMPI_Comm_creat Unknown Unknown libmkl_blacs_inte 00000DB5189E41AA Cblacs_gridmap Unknown Unknown libmkl_scalapack_ 00000DB5184A23C2 Cpdgemr2d Unknown Unknown libmkl_scalapack_ 00000DB5184A2197 pdgemr2d_ Unknown Unknown cp2k.psmp 000000000366402A cp_fm_diag_utils_ 492 cp_fm_diag_utils.F cp2k.psmp 00000000035F4F89 cp_fm_elpa_mp_cp_ 303 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DB511400D90 Unknown Unknown Unknown libc.so.6 00000DB511400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000EF64E019520 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF655E04A7C Unknown Unknown Unknown libmpi.so.12.0.0 00000EF655DF653F Unknown Unknown Unknown libmpi.so.12.0.0 00000EF655896C41 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF65587ECE6 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF65585E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000EF65596336D Unknown Unknown Unknown libmpi.so.12.0.0 00000EF655743D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000EF64E6F5455 mpi_allreduce_ Unknown Unknown cp2k.psmp 0000000004E6719F global_gather_mp_ 138 manually_preprocessed_.._src_solve_tridi_mod_global_gather.F90-src_solve_tridi_libelpa_openmp_private_la-mod_global_gather.o.F90 cp2k.psmp 0000000004DBFF3A merge_systems_mp_ 277 manually_preprocessed_.._src_solve_tridi_mod_merge_systems.F90-src_solve_tridi_libelpa_openmp_private_la-mod_merge_systems.o.F90 cp2k.psmp 0000000004DBDDCB merge_recursive_m 162 manually_preprocessed_.._src_solve_tridi_mod_merge_recursive.F90-src_solve_tridi_libelpa_openmp_private_la-mod_merge_recursive.o.F90 cp2k.psmp 0000000004DED095 solve_tridi_mp_so 260 manually_preprocessed_.._src_solve_tridi_mod_solve_tridi.F90-src_solve_tridi_libelpa_openmp_private_la-mod_solve_tridi.o.F90 cp2k.psmp 0000000004BD33D3 elpa2_impl_mp_elp 1067 manually_preprocessed_.._src_elpa2_elpa2.F90-src_elpa2_libelpa_openmp_private_la-elpa2.o.F90 cp2k.psmp 0000000004A4CE9F elpa_impl_mp_elpa 1990 manually_preprocessed_.._src_elpa_impl.F90-src_libelpa_openmp_private_la-elpa_impl.o.F90 cp2k.psmp 00000000035F6B3E cp_fm_elpa_mp_cp_ 536 cp_fm_elpa.F cp2k.psmp 00000000035F4F6F cp_fm_elpa_mp_cp_ 300 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EF64E000D90 Unknown Unknown Unknown libc.so.6 00000EF64E000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4955593720001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t02.inp.out cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386D7E2 dbcsr_mp_operatio 790 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010AFEDE00D90 Unknown Unknown Unknown libc.so.6 000010AFEDE00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000113F47419520 Unknown Unknown Unknown libc.so.6 0000113F474FCE2E epoll_wait Unknown Unknown libtcp-fi.so 0000113F0DA1A8EC Unknown Unknown Unknown libtcp-fi.so 0000113F0DA17DC5 Unknown Unknown Unknown libtcp-fi.so 0000113F0DA2FA30 Unknown Unknown Unknown libtcp-fi.so 0000113F0DA13839 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4F002393 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4ED17D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4ED18028 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4F0A3270 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EE067F5 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EE0A224 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EB299CF Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EB28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4ED631E7 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4ED74235 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EC5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EC5E769 Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4ED6375C Unknown Unknown Unknown libmpi.so.12.0.0 0000113F4EB49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 0000113F47A5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386D7E2 dbcsr_mp_operatio 790 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000113F47400D90 Unknown Unknown Unknown libc.so.6 0000113F47400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.53949646499996 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t03.inp.out libmpi.so.12.0.0 00000EFD3C74C632 Unknown Unknown Unknown libmpi.so.12.0.0 00000EFD3C74B928 Unknown Unknown Unknown libmpi.so.12.0.0 00000EFD3C68B389 Unknown Unknown Unknown libmpi.so.12.0.0 00000EFD3C65E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000EFD3C763C1A Unknown Unknown Unknown libmpi.so.12.0.0 00000EFD3C550BFE PMPI_Barrier Unknown Unknown libmpifort.so.12. 00000EFD354F5CAB pmpi_barrier Unknown Unknown cp2k.psmp 00000000037822A4 message_passing_m 1324 message_passing.F cp2k.psmp 00000000017FBD3E hfx_energy_potent 1896 hfx_energy_potential.F libiomp5.so 00000EFD35136C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 00000EFD350C5273 Unknown Unknown Unknown libiomp5.so 00000EFD350BE76B __kmp_fork_call Unknown Unknown libiomp5.so 00000EFD3507FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000017EBE15 hfx_energy_potent 325 hfx_energy_potential.F cp2k.psmp 0000000000CB6E12 hfx_admm_utils_mp 1270 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EFD34E00D90 Unknown Unknown Unknown libc.so.6 00000EFD34E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000014CB1BA19520 Unknown Unknown Unknown libc.so.6 000014CB1BAFCE2E epoll_wait Unknown Unknown libtcp-fi.so 000014CAE221A8EC Unknown Unknown Unknown libtcp-fi.so 000014CAE2217DC5 Unknown Unknown Unknown libtcp-fi.so 000014CAE222FA30 Unknown Unknown Unknown libtcp-fi.so 000014CAE2213839 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB23602393 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB23317D5A Unknown Unknown Unknown libmpi.so.12.0.0 000014CB233543BC Unknown Unknown Unknown libmpi.so.12.0.0 000014CB2334C6A6 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB2334B928 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB2328B389 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB2325E779 Unknown Unknown Unknown libmpi.so.12.0.0 000014CB23363C1A Unknown Unknown Unknown libmpi.so.12.0.0 000014CB23150BFE PMPI_Barrier Unknown Unknown libmpifort.so.12. 000014CB1C0F5CAB pmpi_barrier Unknown Unknown cp2k.psmp 00000000037822A4 message_passing_m 1324 message_passing.F cp2k.psmp 00000000017FBD3E hfx_energy_potent 1896 hfx_energy_potential.F libiomp5.so 000014CB1BD36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000014CB1BCC5273 Unknown Unknown Unknown libiomp5.so 000014CB1BCBE76B __kmp_fork_call Unknown Unknown libiomp5.so 000014CB1BC7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000017EBE15 hfx_energy_potent 325 hfx_energy_potential.F cp2k.psmp 0000000000CB6E12 hfx_admm_utils_mp 1270 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000014CB1BA00D90 Unknown Unknown Unknown libc.so.6 000014CB1BA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4819922079996 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t04.inp.out libmpi.so.12.0.0 00001025125543BC Unknown Unknown Unknown libmpi.so.12.0.0 000010251254C6A6 Unknown Unknown Unknown libmpi.so.12.0.0 000010251254B928 Unknown Unknown Unknown libmpi.so.12.0.0 000010251248B389 Unknown Unknown Unknown libmpi.so.12.0.0 000010251245E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000102512563C1A Unknown Unknown Unknown libmpi.so.12.0.0 0000102512350BFE PMPI_Barrier Unknown Unknown libmpifort.so.12. 000010250B2F5CAB pmpi_barrier Unknown Unknown cp2k.psmp 00000000037822A4 message_passing_m 1324 message_passing.F cp2k.psmp 00000000017FBD3E hfx_energy_potent 1896 hfx_energy_potential.F libiomp5.so 000010250AF36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000010250AEC5273 Unknown Unknown Unknown libiomp5.so 000010250AEBE76B __kmp_fork_call Unknown Unknown libiomp5.so 000010250AE7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000017EBE15 hfx_energy_potent 325 hfx_energy_potential.F cp2k.psmp 0000000000CB6E12 hfx_admm_utils_mp 1270 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010250AC00D90 Unknown Unknown Unknown libc.so.6 000010250AC00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001002D2819520 Unknown Unknown Unknown libmpi.so.12.0.0 00001002DA14C632 Unknown Unknown Unknown libmpi.so.12.0.0 00001002DA14B928 Unknown Unknown Unknown libmpi.so.12.0.0 00001002DA08B389 Unknown Unknown Unknown libmpi.so.12.0.0 00001002DA05E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001002DA163C1A Unknown Unknown Unknown libmpi.so.12.0.0 00001002D9F50BFE PMPI_Barrier Unknown Unknown libmpifort.so.12. 00001002D2EF5CAB pmpi_barrier Unknown Unknown cp2k.psmp 00000000037822A4 message_passing_m 1324 message_passing.F cp2k.psmp 0000000001CF957D hfx_communication 235 hfx_communication.F cp2k.psmp 00000000017FBED9 hfx_energy_potent 1903 hfx_energy_potential.F libiomp5.so 00001002D2B36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 00001002D2AC5273 Unknown Unknown Unknown libiomp5.so 00001002D2ABE76B __kmp_fork_call Unknown Unknown libiomp5.so 00001002D2A7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000017EBE15 hfx_energy_potent 325 hfx_energy_potential.F cp2k.psmp 0000000000CB6E12 hfx_admm_utils_mp 1270 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001002D2800D90 Unknown Unknown Unknown libc.so.6 00001002D2800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5015509450004 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t05.inp.out cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386EA66 dbcsr_mp_operatio 713 dbcsr_mp_operations.F cp2k.psmp 000000000386D31B dbcsr_mp_operatio 675 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 000000000115DF9F cp_dbcsr_operatio 266 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000140F8E600D90 Unknown Unknown Unknown libc.so.6 0000140F8E600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000010DE03219520 Unknown Unknown Unknown libc.so.6 000010DE032FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000010DDC981A8EC Unknown Unknown Unknown libtcp-fi.so 000010DDC9817DC5 Unknown Unknown Unknown libtcp-fi.so 000010DDC982FA30 Unknown Unknown Unknown libtcp-fi.so 000010DDC9813839 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AE02393 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AB17D5A Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AB18028 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AEA3270 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AC067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AC0A224 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0A9299CF Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0A928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AB631E7 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AB74235 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AA5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AA5E769 Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0AB6375C Unknown Unknown Unknown libmpi.so.12.0.0 000010DE0A949982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000010DE0385DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386EA66 dbcsr_mp_operatio 713 dbcsr_mp_operations.F cp2k.psmp 000000000386D31B dbcsr_mp_operatio 675 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 000000000115DF9F cp_dbcsr_operatio 266 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010DE03200D90 Unknown Unknown Unknown libc.so.6 000010DE03200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.47075627699996 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t06.inp.out cp2k.psmp 000000000382E374 dbcsr_mpiwrap_mp_ 1205 dbcsr_mpiwrap.F cp2k.psmp 000000000387F6C3 dbcsr_mp_methods_ 198 dbcsr_mp_methods.F cp2k.psmp 000000000386BD77 dbcsr_mp_operatio 642 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 000000000115DF9F cp_dbcsr_operatio 266 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000118BE1000D90 Unknown Unknown Unknown libc.so.6 0000118BE1000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000101821219520 Unknown Unknown Unknown libc.so.6 00001018212FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00001017E7A1A8EC Unknown Unknown Unknown libtcp-fi.so 00001017E7A17DC5 Unknown Unknown Unknown libtcp-fi.so 00001017E7A2FA30 Unknown Unknown Unknown libtcp-fi.so 00001017E7A13839 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828E02393 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828B17D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000101828B18028 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828EA3270 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828C067F5 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828C0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00001018289299CF Unknown Unknown Unknown libmpi.so.12.0.0 0000101828928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828B631E7 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828B62E2D Unknown Unknown Unknown libmpi.so.12.0.0 0000101828BCB553 Unknown Unknown Unknown libmpi.so.12.0.0 0000101828BCB29F Unknown Unknown Unknown libmpi.so.12.0.0 0000101828BC3028 Unknown Unknown Unknown libmpi.so.12.0.0 000010182893AC44 PMPI_Cart_sub Unknown Unknown libmpifort.so.12. 00001018218F68C7 MPI_CART_SUB Unknown Unknown cp2k.psmp 000000000382E374 dbcsr_mpiwrap_mp_ 1205 dbcsr_mpiwrap.F cp2k.psmp 000000000387F6C3 dbcsr_mp_methods_ 198 dbcsr_mp_methods.F cp2k.psmp 000000000386BD77 dbcsr_mp_operatio 642 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 000000000115DF9F cp_dbcsr_operatio 266 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000101821200D90 Unknown Unknown Unknown libc.so.6 0000101821200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4731505179998 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t07.inp.out cp2k.psmp 000000000337E8ED rs_pw_interface_m 185 rs_pw_interface.F cp2k.psmp 00000000011A2C94 qs_integrate_pote 694 qs_integrate_potential_product.F cp2k.psmp 000000000190FB21 qs_ks_utils_mp_su 1455 qs_ks_utils.F cp2k.psmp 0000000000D62137 qs_ks_methods_mp_ 683 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F044D000D90 Unknown Unknown Unknown libc.so.6 00000F044D000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F5D3F419520 Unknown Unknown Unknown libc.so.6 00000F5D3F4FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000F5D05C1A8EC Unknown Unknown Unknown libtcp-fi.so 00000F5D05C17DC5 Unknown Unknown Unknown libtcp-fi.so 00000F5D05C2FA30 Unknown Unknown Unknown libtcp-fi.so 00000F5D05C13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D47002393 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46D17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46D18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D470A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46E067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46E0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46B299CF Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46B28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46D631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46C60E07 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46C6894C Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46C5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46D6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000F5D46B49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000F5D3FA5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB359 message_passing_m 171 message_passing.fypp cp2k.psmp 0000000003434F1D fft_tools_mp_yz_t 1754 fft_tools.F cp2k.psmp 000000000341725C fft_tools_mp_fft3 741 fft_tools.F cp2k.psmp 0000000003509D4D pw_methods_mp_fft 1445 pw_methods.F cp2k.psmp 000000000337E8ED rs_pw_interface_m 185 rs_pw_interface.F cp2k.psmp 00000000011A2C94 qs_integrate_pote 694 qs_integrate_potential_product.F cp2k.psmp 000000000190FB21 qs_ks_utils_mp_su 1455 qs_ks_utils.F cp2k.psmp 0000000000D62137 qs_ks_methods_mp_ 683 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F5D3F400D90 Unknown Unknown Unknown libc.so.6 00000F5D3F400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.47608657300043 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-dcdft-hfx/N2_t08.inp.out cp2k.psmp 0000000001161EA6 cp_dbcsr_operatio 134 cp_dbcsr_operations.F cp2k.psmp 0000000001C631F0 admm_methods_mp_m 1797 admm_methods.F cp2k.psmp 0000000001C5CBB4 admm_methods_mp_a 802 admm_methods.F cp2k.psmp 0000000000D633E0 qs_ks_methods_mp_ 815 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000123A55A00D90 Unknown Unknown Unknown libc.so.6 0000123A55A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000FEE56019520 Unknown Unknown Unknown libc.so.6 00000FEE56067A13 Unknown Unknown Unknown libc.so.6 00000FEE560FCE12 epoll_wait Unknown Unknown libtcp-fi.so 00000FEE1C61A8EC Unknown Unknown Unknown libtcp-fi.so 00000FEE1C617DC5 Unknown Unknown Unknown libtcp-fi.so 00000FEE1C62FA30 Unknown Unknown Unknown libtcp-fi.so 00000FEE1C613839 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5DC02393 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D917D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D918028 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5DCA3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5DA067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5DA0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D7299CF Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D728AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D9631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D860E07 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D86894C Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D85E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D96375C Unknown Unknown Unknown libmpi.so.12.0.0 00000FEE5D749982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000FEE5665DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161EA6 cp_dbcsr_operatio 134 cp_dbcsr_operations.F cp2k.psmp 0000000001C631F0 admm_methods_mp_m 1797 admm_methods.F cp2k.psmp 0000000001C5CBB4 admm_methods_mp_a 802 admm_methods.F cp2k.psmp 0000000000D633E0 qs_ks_methods_mp_ 815 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000FEE56000D90 Unknown Unknown Unknown libc.so.6 00000FEE56000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.47517686599986 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_nostore.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000012DBB3A19520 Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB34C632 Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB34D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB27FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB25E779 Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB36336D Unknown Unknown Unknown libmpi.so.12.0.0 000012DBBB143D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000012DBB40F53C0 Unknown Unknown Unknown libmpifort.so.12. 000012DBB405D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A4DC9 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B703B timings_report_mp 182 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012DBB3A00D90 Unknown Unknown Unknown libc.so.6 000012DBB3A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001523E7619520 Unknown Unknown Unknown libmpi.so.12.0.0 00001523EEF4E087 Unknown Unknown Unknown libmpi.so.12.0.0 00001523EEF4EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00001523EEE6E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00001523EEE5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001523EEF6336D Unknown Unknown Unknown libmpi.so.12.0.0 00001523EED43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001523E7CF53C0 Unknown Unknown Unknown libmpifort.so.12. 00001523E7C5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A4DC9 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B703B timings_report_mp 182 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001523E7600D90 Unknown Unknown Unknown libc.so.6 00001523E7600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000153827219520 Unknown Unknown Unknown libmpi.so.12.0.0 000015382EB4C632 Unknown Unknown Unknown libmpi.so.12.0.0 000015382EB4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000015382EA7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000015382EA5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000015382EB6336D Unknown Unknown Unknown libmpi.so.12.0.0 000015382E943D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001538278F53C0 Unknown Unknown Unknown libmpifort.so.12. 000015382785D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A4DC9 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B703B timings_report_mp 182 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000153827200D90 Unknown Unknown Unknown libc.so.6 0000153827200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.39863731700007 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_nostore.inp.out libmpi.so.12.0.0 0000100A32402393 Unknown Unknown Unknown libmpi.so.12.0.0 0000100A32117D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000100A321543BC Unknown Unknown Unknown libmpi.so.12.0.0 0000100A3214C6A6 Unknown Unknown Unknown libmpi.so.12.0.0 0000100A3214D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 0000100A3207FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 0000100A3205E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000100A3216336D Unknown Unknown Unknown libmpi.so.12.0.0 0000100A31F43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000100A2AEF53C0 Unknown Unknown Unknown libmpifort.so.12. 0000100A2AE5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000378CB95 message_passing_m 3449 message_passing.F cp2k.psmp 00000000036B71C4 timings_report_mp 188 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000100A2A800D90 Unknown Unknown Unknown libc.so.6 0000100A2A800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001109D3A19520 Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB34E082 Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB34EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB26E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB25E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB36336D Unknown Unknown Unknown libmpi.so.12.0.0 00001109DB143D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001109D40F53C0 Unknown Unknown Unknown libmpifort.so.12. 00001109D405D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7232 timings_report_mp 192 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001109D3A00D90 Unknown Unknown Unknown libc.so.6 00001109D3A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001389E3E19520 Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB74E082 Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB74EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB66E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB65E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB76336D Unknown Unknown Unknown libmpi.so.12.0.0 00001389EB543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001389E44F53C0 Unknown Unknown Unknown libmpifort.so.12. 00001389E445D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7232 timings_report_mp 192 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001389E3E00D90 Unknown Unknown Unknown libc.so.6 00001389E3E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.41198722900026 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001052CEC19520 Unknown Unknown Unknown libmpi.so.12.0.0 00001052D654C636 Unknown Unknown Unknown libmpi.so.12.0.0 00001052D654D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00001052D647FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00001052D645E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001052D656336D Unknown Unknown Unknown libmpi.so.12.0.0 00001052D6343D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001052CF2F53C0 Unknown Unknown Unknown libmpifort.so.12. 00001052CF25D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000378CB95 message_passing_m 3449 message_passing.F cp2k.psmp 00000000036B72F6 timings_report_mp 196 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001052CEC00D90 Unknown Unknown Unknown libc.so.6 00001052CEC00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000011BF30819520 Unknown Unknown Unknown libmpi.so.12.0.0 000011BF3814E082 Unknown Unknown Unknown libmpi.so.12.0.0 000011BF3814EF74 Unknown Unknown Unknown libmpi.so.12.0.0 000011BF3806E4EB Unknown Unknown Unknown libmpi.so.12.0.0 000011BF3805E779 Unknown Unknown Unknown libmpi.so.12.0.0 000011BF3816336D Unknown Unknown Unknown libmpi.so.12.0.0 000011BF37F43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000011BF30EF53C0 Unknown Unknown Unknown libmpifort.so.12. 000011BF30E5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7364 timings_report_mp 200 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011BF30800D90 Unknown Unknown Unknown libc.so.6 000011BF30800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000D83A0819520 Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A814E087 Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A814EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A806E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A805E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A816336D Unknown Unknown Unknown libmpi.so.12.0.0 00000D83A7F43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000D83A0EF53C0 Unknown Unknown Unknown libmpifort.so.12. 00000D83A0E5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7364 timings_report_mp 200 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000D83A0800D90 Unknown Unknown Unknown libc.so.6 00000D83A0800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4467717049997 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht.inp.out libmpi.so.12.0.0 000013F74FA96C5F Unknown Unknown Unknown libmpi.so.12.0.0 000013F74FA91B4B Unknown Unknown Unknown libmpi.so.12.0.0 000013F74FA69003 Unknown Unknown Unknown libmpi.so.12.0.0 000013F74FA5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000013F74FB63CFF Unknown Unknown Unknown libmpi.so.12.0.0 000013F74F95151C MPI_Bcast Unknown Unknown libmpifort.so.12. 000013F7488F5D24 Unknown Unknown Unknown libmpifort.so.12. 000013F74885E3FC mpi_bcast_f08ts_ Unknown Unknown cp2k.psmp 00000000037891E6 message_passing_m 3065 message_passing.F cp2k.psmp 00000000036B6E14 timings_report_mp 150 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013F748200D90 Unknown Unknown Unknown libc.so.6 000013F748200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000DC395219520 Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39D005166 Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CFF653F Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CFF6ECA Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CA9CBDA Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CA6E269 Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CA5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39CB6336D Unknown Unknown Unknown libmpi.so.12.0.0 00000DC39C943D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000DC3958F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000DC39585D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003796757 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B6BA5 timings_report_mp 143 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DC395200D90 Unknown Unknown Unknown libc.so.6 00000DC395200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000E091BA19520 Unknown Unknown Unknown libmpi.so.12.0.0 00000E092334479C Unknown Unknown Unknown libmpi.so.12.0.0 00000E0923296C5F Unknown Unknown Unknown libmpi.so.12.0.0 00000E0923291B4B Unknown Unknown Unknown libmpi.so.12.0.0 00000E0923269003 Unknown Unknown Unknown libmpi.so.12.0.0 00000E092325E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000E0923363CFF Unknown Unknown Unknown libmpi.so.12.0.0 00000E092315151C MPI_Bcast Unknown Unknown libmpifort.so.12. 00000E091C0F5D24 Unknown Unknown Unknown libmpifort.so.12. 00000E091C05E3FC mpi_bcast_f08ts_ Unknown Unknown cp2k.psmp 00000000037891E6 message_passing_m 3065 message_passing.F cp2k.psmp 00000000036B6E14 timings_report_mp 150 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E091BA00D90 Unknown Unknown Unknown libc.so.6 00000E091BA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.47700000199984 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_nostore.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000136713419520 Unknown Unknown Unknown libmpi.so.12.0.0 000013671AD4C632 Unknown Unknown Unknown libmpi.so.12.0.0 000013671AD4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000013671AC7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000013671AC5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000013671AD6336D Unknown Unknown Unknown libmpi.so.12.0.0 000013671AB43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000136713AF53C0 Unknown Unknown Unknown libmpifort.so.12. 0000136713A5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000136713400D90 Unknown Unknown Unknown libc.so.6 0000136713400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F8AF7619520 Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFEF4C632 Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFEF4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFEE7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFEE5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFEF6336D Unknown Unknown Unknown libmpi.so.12.0.0 00000F8AFED43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000F8AF7CF53C0 Unknown Unknown Unknown libmpifort.so.12. 00000F8AF7C5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F8AF7600D90 Unknown Unknown Unknown libc.so.6 00000F8AF7600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000010D540219520 Unknown Unknown Unknown libmpi.so.12.0.0 000010D547B4C636 Unknown Unknown Unknown libmpi.so.12.0.0 000010D547B4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000010D547A7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000010D547A5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000010D547B6336D Unknown Unknown Unknown libmpi.so.12.0.0 000010D547943D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000010D5408F53C0 Unknown Unknown Unknown libmpifort.so.12. 000010D54085D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010D540200D90 Unknown Unknown Unknown libc.so.6 000010D540200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4715463259995 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_nostore.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000130DD7E19520 Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF74C636 Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF74D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF67FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF65E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF76336D Unknown Unknown Unknown libmpi.so.12.0.0 0000130DDF543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000130DD84F53C0 Unknown Unknown Unknown libmpifort.so.12. 0000130DD845D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000130DD7E00D90 Unknown Unknown Unknown libc.so.6 0000130DD7E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000150A4EC19520 Unknown Unknown Unknown libmpi.so.12.0.0 0000150A5654C636 Unknown Unknown Unknown libmpi.so.12.0.0 0000150A5654D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 0000150A5647FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 0000150A5645E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000150A5656336D Unknown Unknown Unknown libmpi.so.12.0.0 0000150A56343D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000150A4F2F53C0 Unknown Unknown Unknown libmpifort.so.12. 0000150A4F25D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A4DC9 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B703B timings_report_mp 182 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000150A4EC00D90 Unknown Unknown Unknown libc.so.6 0000150A4EC00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001208C3419520 Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAD4C632 Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAD4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAC7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAC5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAD6336D Unknown Unknown Unknown libmpi.so.12.0.0 00001208CAB43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001208C3AF53C0 Unknown Unknown Unknown libmpifort.so.12. 00001208C3A5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A4DC9 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B703B timings_report_mp 182 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001208C3400D90 Unknown Unknown Unknown libc.so.6 00001208C3400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3962056800001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_nostore_group.inp.out libmpi.so.12.0.0 00000FA26E69CBDA Unknown Unknown Unknown libmpi.so.12.0.0 00000FA26E66E269 Unknown Unknown Unknown libmpi.so.12.0.0 00000FA26E65E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000FA26E76336D Unknown Unknown Unknown libmpi.so.12.0.0 00000FA26E543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000FA2674F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000FA26745D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003796757 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B6BA5 timings_report_mp 143 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000FA266E00D90 Unknown Unknown Unknown libc.so.6 00000FA266E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000013CCF4C19520 Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFCA05150 Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC9F653F Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC9F6ECA Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC49CBDA Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC46E269 Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC45E779 Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC56336D Unknown Unknown Unknown libmpi.so.12.0.0 000013CCFC343D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000013CCF52F53C0 Unknown Unknown Unknown libmpifort.so.12. 000013CCF525D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003796757 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B6BA5 timings_report_mp 143 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013CCF4C00D90 Unknown Unknown Unknown libc.so.6 000013CCF4C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000010BAC7419520 Unknown Unknown Unknown libmpi.so.12.0.0 000010BACF20515A Unknown Unknown Unknown libmpi.so.12.0.0 000010BACF1F653F Unknown Unknown Unknown libmpi.so.12.0.0 000010BACF1F6ECA Unknown Unknown Unknown libmpi.so.12.0.0 000010BACEC9CBDA Unknown Unknown Unknown libmpi.so.12.0.0 000010BACEC6E269 Unknown Unknown Unknown libmpi.so.12.0.0 000010BACEC5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000010BACED6336D Unknown Unknown Unknown libmpi.so.12.0.0 000010BACEB43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000010BAC7AF53C0 Unknown Unknown Unknown libmpifort.so.12. 000010BAC7A5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003796757 message_passing_m 1633 message_passing.fypp cp2k.psmp 00000000036B6BA5 timings_report_mp 143 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010BAC7400D90 Unknown Unknown Unknown libc.so.6 000010BAC7400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4499381400001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_nostore_group.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F99B3819520 Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BB14C636 Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BB14D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BB07FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BB05E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BB16336D Unknown Unknown Unknown libmpi.so.12.0.0 00000F99BAF43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000F99B3EF53C0 Unknown Unknown Unknown libmpifort.so.12. 00000F99B3E5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F99B3800D90 Unknown Unknown Unknown libc.so.6 00000F99B3800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000103636819520 Unknown Unknown Unknown libmpi.so.12.0.0 000010363E14C636 Unknown Unknown Unknown libmpi.so.12.0.0 000010363E14D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000010363E07FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000010363E05E779 Unknown Unknown Unknown libmpi.so.12.0.0 000010363E16336D Unknown Unknown Unknown libmpi.so.12.0.0 000010363DF43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000103636EF53C0 Unknown Unknown Unknown libmpifort.so.12. 0000103636E5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000103636800D90 Unknown Unknown Unknown libc.so.6 0000103636800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000013623B819520 Unknown Unknown Unknown libmpi.so.12.0.0 000013624314C632 Unknown Unknown Unknown libmpi.so.12.0.0 000013624314D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000013624307FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000013624305E779 Unknown Unknown Unknown libmpi.so.12.0.0 000013624316336D Unknown Unknown Unknown libmpi.so.12.0.0 0000136242F43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000013623BEF53C0 Unknown Unknown Unknown libmpifort.so.12. 000013623BE5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013623B800D90 Unknown Unknown Unknown libc.so.6 000013623B800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4688868060002 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_group.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F1073019520 Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A94E087 Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A94EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A86E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A85E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A96336D Unknown Unknown Unknown libmpi.so.12.0.0 00000F107A743D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000F10736F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000F107365D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000378CB95 message_passing_m 3449 message_passing.F cp2k.psmp 00000000036B72F6 timings_report_mp 196 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F1073000D90 Unknown Unknown Unknown libc.so.6 00000F1073000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000012E6C9A19520 Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D134C632 Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D134D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D127FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D125E779 Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D136336D Unknown Unknown Unknown libmpi.so.12.0.0 000012E6D1143D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000012E6CA0F53C0 Unknown Unknown Unknown libmpifort.so.12. 000012E6CA05D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000378CB95 message_passing_m 3449 message_passing.F cp2k.psmp 00000000036B72F6 timings_report_mp 196 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012E6C9A00D90 Unknown Unknown Unknown libc.so.6 000012E6C9A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000153EE5619520 Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECF4E08B Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECF4EF74 Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECE6E4EB Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECE5E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECF6336D Unknown Unknown Unknown libmpi.so.12.0.0 0000153EECD43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 0000153EE5CF53C0 Unknown Unknown Unknown libmpifort.so.12. 0000153EE5C5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000378CB95 message_passing_m 3449 message_passing.F cp2k.psmp 00000000036B72F6 timings_report_mp 196 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000153EE5600D90 Unknown Unknown Unknown libc.so.6 0000153EE5600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.4653185569996 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_group.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001325A3619520 Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAF4C632 Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAF4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAE7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAE5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAF6336D Unknown Unknown Unknown libmpi.so.12.0.0 00001325AAD43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001325A3CF53C0 Unknown Unknown Unknown libmpifort.so.12. 00001325A3C5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7096 timings_report_mp 183 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001325A3600D90 Unknown Unknown Unknown libc.so.6 00001325A3600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000014E229219520 Unknown Unknown Unknown libmpi.so.12.0.0 000014E230B4C632 Unknown Unknown Unknown libmpi.so.12.0.0 000014E230B4D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000014E230A7FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000014E230A5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000014E230B6336D Unknown Unknown Unknown libmpi.so.12.0.0 000014E230943D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000014E2298F53C0 Unknown Unknown Unknown libmpifort.so.12. 000014E22985D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B70F1 timings_report_mp 184 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000014E229200D90 Unknown Unknown Unknown libc.so.6 000014E229200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000E4336A19520 Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E34C632 Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E34D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E27FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E25E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E36336D Unknown Unknown Unknown libmpi.so.12.0.0 00000E433E143D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000E43370F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000E433705D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037A3439 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B70F1 timings_report_mp 184 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E4336A00D90 Unknown Unknown Unknown libc.so.6 00000E4336A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.41488776000006 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_nostore_group.inp.out forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001289B0E19520 Unknown Unknown Unknown libmpi.so.12.0.0 00001289B874C632 Unknown Unknown Unknown libmpi.so.12.0.0 00001289B874D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00001289B867FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00001289B865E779 Unknown Unknown Unknown libmpi.so.12.0.0 00001289B876336D Unknown Unknown Unknown libmpi.so.12.0.0 00001289B8543D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00001289B14F53C0 Unknown Unknown Unknown libmpifort.so.12. 00001289B145D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7364 timings_report_mp 200 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001289B0E00D90 Unknown Unknown Unknown libc.so.6 00001289B0E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000DFE44019520 Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B94C632 Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B94D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B87FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B85E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B96336D Unknown Unknown Unknown libmpi.so.12.0.0 00000DFE4B743D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000DFE446F53C0 Unknown Unknown Unknown libmpifort.so.12. 00000DFE4465D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7364 timings_report_mp 200 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DFE44000D90 Unknown Unknown Unknown libc.so.6 00000DFE44000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000012E60B019520 Unknown Unknown Unknown libmpi.so.12.0.0 000012E61294E087 Unknown Unknown Unknown libmpi.so.12.0.0 000012E61294EF74 Unknown Unknown Unknown libmpi.so.12.0.0 000012E61286E4EB Unknown Unknown Unknown libmpi.so.12.0.0 000012E61285E779 Unknown Unknown Unknown libmpi.so.12.0.0 000012E61296336D Unknown Unknown Unknown libmpi.so.12.0.0 000012E612743D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000012E60B6F53C0 Unknown Unknown Unknown libmpifort.so.12. 000012E60B65D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 00000000037B1C29 message_passing_m 1287 message_passing.fypp cp2k.psmp 00000000036B7364 timings_report_mp 200 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012E60B000D90 Unknown Unknown Unknown libc.so.6 000012E60B000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3946472279995 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-as-2/h2_gpw_ht_nostore_group.inp.out libmpi.so.12.0.0 000010DA20691B4B Unknown Unknown Unknown libmpi.so.12.0.0 000010DA20669003 Unknown Unknown Unknown libmpi.so.12.0.0 000010DA2065E779 Unknown Unknown Unknown libmpi.so.12.0.0 000010DA20763CFF Unknown Unknown Unknown libmpi.so.12.0.0 000010DA2055151C MPI_Bcast Unknown Unknown libmpifort.so.12. 000010DA194F5D24 Unknown Unknown Unknown libmpifort.so.12. 000010DA1945E3FC mpi_bcast_f08ts_ Unknown Unknown cp2k.psmp 00000000037891E6 message_passing_m 3065 message_passing.F cp2k.psmp 00000000036B6E14 timings_report_mp 150 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010DA18E00D90 Unknown Unknown Unknown libc.so.6 000010DA18E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000133A84C19520 Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8CA05150 Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C9F653F Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C496C41 Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C491B4B Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C469003 Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C45E779 Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C563CFF Unknown Unknown Unknown libmpi.so.12.0.0 0000133A8C35151C MPI_Bcast Unknown Unknown libmpifort.so.12. 0000133A852F5D24 Unknown Unknown Unknown libmpifort.so.12. 0000133A8525E3FC mpi_bcast_f08ts_ Unknown Unknown cp2k.psmp 00000000037891E6 message_passing_m 3065 message_passing.F cp2k.psmp 00000000036B6E14 timings_report_mp 150 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000133A84C00D90 Unknown Unknown Unknown libc.so.6 0000133A84C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000D6BA7E19520 Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAFC05164 Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAFBF653F Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF696C41 Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF691B4B Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF669003 Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF65E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF763CFF Unknown Unknown Unknown libmpi.so.12.0.0 00000D6BAF55151C MPI_Bcast Unknown Unknown libmpifort.so.12. 00000D6BA84F5D24 Unknown Unknown Unknown libmpifort.so.12. 00000D6BA845E3FC mpi_bcast_f08ts_ Unknown Unknown cp2k.psmp 00000000037891E6 message_passing_m 3065 message_passing.F cp2k.psmp 00000000036B6E14 timings_report_mp 150 timings_report.F cp2k.psmp 00000000036B658B timings_report_mp 78 timings_report.F cp2k.psmp 00000000010CA097 environment_mp_cp 1278 environment.F cp2k.psmp 0000000000FE154B f77_interface_mp_ 990 f77_interface.F cp2k.psmp 000000000068BB14 cp2k_runs_mp_cp2k 453 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000D6BA7E00D90 Unknown Unknown Unknown libc.so.6 00000D6BA7E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.46043932999964 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/O2_dyn.inp.out libc.so.6 0000110DA5819520 Unknown Unknown Unknown libmpi.so.12.0.0 0000110DAD3A9404 Unknown Unknown Unknown libmpi.so.12.0.0 0000110DAD117D04 Unknown Unknown Unknown libmpi.so.12.0.0 0000110DAD118028 Unknown Unknown Unknown libmpi.so.12.0.0 0000110DAD45D6C2 Unknown Unknown Unknown libmpi.so.12.0.0 0000110DACFED3BE PMPI_Sendrecv Unknown Unknown libmpifort.so.12. 0000110DA5F0443A Unknown Unknown Unknown libmpifort.so.12. 0000110DA5F325BD mpi_sendrecv_f08t Unknown Unknown cp2k.psmp 00000000037B93EC message_passing_m 3347 message_passing.fypp cp2k.psmp 000000000345F66C realspace_grid_ty 809 realspace_grid_types.F cp2k.psmp 0000000003455330 realspace_grid_ty 668 realspace_grid_types.F cp2k.psmp 000000000337E1EC rs_pw_interface_m 102 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 0000000001462AEE qs_p_env_methods_ 427 qs_p_env_methods.F cp2k.psmp 00000000017D2CDD mp2_cphf_mp_cphf_ 614 mp2_cphf.F cp2k.psmp 00000000017CBEBF mp2_cphf_mp_solve 382 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000110DA5800D90 Unknown Unknown Unknown libc.so.6 0000110DA5800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F0EC8219520 Unknown Unknown Unknown libc.so.6 00000F0EC82FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000F0E8EA1A8EC Unknown Unknown Unknown libtcp-fi.so 00000F0E8EA17DC5 Unknown Unknown Unknown libtcp-fi.so 00000F0E8EA2FA30 Unknown Unknown Unknown libtcp-fi.so 00000F0E8EA13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000F0ECFE02393 Unknown Unknown Unknown libmpi.so.12.0.0 00000F0ECFB17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000F0ECFB18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000F0ECFE5D6C2 Unknown Unknown Unknown libmpi.so.12.0.0 00000F0ECF9ED3BE PMPI_Sendrecv Unknown Unknown libmpifort.so.12. 00000F0EC890443A Unknown Unknown Unknown libmpifort.so.12. 00000F0EC89325BD mpi_sendrecv_f08t Unknown Unknown cp2k.psmp 00000000037B93EC message_passing_m 3347 message_passing.fypp cp2k.psmp 000000000345F66C realspace_grid_ty 809 realspace_grid_types.F cp2k.psmp 0000000003455330 realspace_grid_ty 668 realspace_grid_types.F cp2k.psmp 000000000337E1EC rs_pw_interface_m 102 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 0000000001462AEE qs_p_env_methods_ 427 qs_p_env_methods.F cp2k.psmp 00000000017D2CDD mp2_cphf_mp_cphf_ 614 mp2_cphf.F cp2k.psmp 00000000017CBEBF mp2_cphf_mp_solve 382 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F0EC8200D90 Unknown Unknown Unknown libc.so.6 00000F0EC8200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5259355580001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/O2_dyn_mme.inp.out libmpi.so.12.0.0 000013695AC5E769 Unknown Unknown Unknown libmpi.so.12.0.0 000013695AD6375C Unknown Unknown Unknown libmpi.so.12.0.0 000013695AB49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 0000136953A5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386E7F0 dbcsr_mp_operatio 704 dbcsr_mp_operations.F cp2k.psmp 000000000386D31B dbcsr_mp_operatio 675 dbcsr_mp_operations.F cp2k.psmp 0000000003864525 dbcsr_mp_operatio 87 dbcsr_mp_operations.F cp2k.psmp 0000000003807489 dbcsr_transformat 491 dbcsr_transformations.F cp2k.psmp 000000000115DF8C cp_dbcsr_operatio 265 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000136953400D90 Unknown Unknown Unknown libc.so.6 0000136953400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000EE666419520 Unknown Unknown Unknown libc.so.6 00000EE6664FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000EE62CC1A8EC Unknown Unknown Unknown libtcp-fi.so 00000EE62CC17DC5 Unknown Unknown Unknown libtcp-fi.so 00000EE62CC2FA30 Unknown Unknown Unknown libtcp-fi.so 00000EE62CC13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66E002393 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DD17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DD18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66E0A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DE067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DE0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66E02CAD5 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66E02B98A Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DD630DA Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DD74235 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DC5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DC5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DD6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000EE66DB49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000EE666A5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386E7F0 dbcsr_mp_operatio 704 dbcsr_mp_operations.F cp2k.psmp 000000000386D31B dbcsr_mp_operatio 675 dbcsr_mp_operations.F cp2k.psmp 0000000003864525 dbcsr_mp_operatio 87 dbcsr_mp_operations.F cp2k.psmp 0000000003807489 dbcsr_transformat 491 dbcsr_transformations.F cp2k.psmp 000000000115DF8C cp_dbcsr_operatio 265 cp_dbcsr_operations.F cp2k.psmp 0000000001F91EBB qs_scf_diagonaliz 169 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EE666400D90 Unknown Unknown Unknown libc.so.6 00000EE666400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.59137335300056 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/CH_dyn_screen.inp.out libmkl_scalapack_ 00000D63998A2197 pdgemr2d_ Unknown Unknown cp2k.psmp 000000000366402A cp_fm_diag_utils_ 492 cp_fm_diag_utils.F cp2k.psmp 00000000035EE9E0 cp_fm_diag_mp_cp_ 455 cp_fm_diag.F cp2k.psmp 00000000035EE6AB cp_fm_diag_mp_cho 221 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000D6392800D90 Unknown Unknown Unknown libc.so.6 00000D6392800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000154A0B819520 Unknown Unknown Unknown libc.so.6 0000154A0B8FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00001549D201A8EC Unknown Unknown Unknown libtcp-fi.so 00001549D2017DC5 Unknown Unknown Unknown libtcp-fi.so 00001549D202FA30 Unknown Unknown Unknown libtcp-fi.so 00001549D2013839 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A13402393 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A13117D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000154A13118028 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A134A3270 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A132067F5 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A1320FAF3 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A1342E4FB Unknown Unknown Unknown libmpi.so.12.0.0 0000154A1342B96E Unknown Unknown Unknown libmpi.so.12.0.0 0000154A131630DA Unknown Unknown Unknown libmpi.so.12.0.0 0000154A13162E2D Unknown Unknown Unknown libmpi.so.12.0.0 0000154A131CB553 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A131CB29F Unknown Unknown Unknown libmpi.so.12.0.0 0000154A131BA566 Unknown Unknown Unknown libmpi.so.12.0.0 0000154A131B9B18 MPI_Comm_create Unknown Unknown libmkl_blacs_inte 0000154A1CD88F10 MKLMPI_Comm_creat Unknown Unknown libmkl_blacs_inte 0000154A1CD871AA Cblacs_gridmap Unknown Unknown libmkl_scalapack_ 0000154A128A23C2 Cpdgemr2d Unknown Unknown libmkl_scalapack_ 0000154A128A2197 pdgemr2d_ Unknown Unknown cp2k.psmp 000000000366402A cp_fm_diag_utils_ 492 cp_fm_diag_utils.F cp2k.psmp 00000000035EE9E0 cp_fm_diag_mp_cp_ 455 cp_fm_diag.F cp2k.psmp 00000000035EE6AB cp_fm_diag_mp_cho 221 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 0000000001F91D6A qs_scf_diagonaliz 334 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000154A0B800D90 Unknown Unknown Unknown libc.so.6 0000154A0B800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5343665520004 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/CH_dyn_screen_single_group.inp.out libmpi.so.12.0.0 000013B1B2B49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000013B1ABA5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB740 message_passing_m 222 message_passing.fypp cp2k.psmp 000000000341E44E fft_tools_mp_yz_t 1580 fft_tools.F cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E281 rs_pw_interface_m 111 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 00000000025425B9 qs_scf_loop_utils 631 qs_scf_loop_utils.F cp2k.psmp 000000000197FE7A qs_scf_mp_scf_env 560 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013B1AB400D90 Unknown Unknown Unknown libc.so.6 000013B1AB400E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000EE8A6219520 Unknown Unknown Unknown libc.so.6 00000EE8A62FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000EE86CA1A8EC Unknown Unknown Unknown libtcp-fi.so 00000EE86CA17DC5 Unknown Unknown Unknown libtcp-fi.so 00000EE86CA2FA30 Unknown Unknown Unknown libtcp-fi.so 00000EE86CA13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADE02393 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADB17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADB18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADEA3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADC067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADC0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8AD9299CF Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8AD928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADB631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADB74235 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADA5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADA5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8ADB6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000EE8AD949982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000EE8A685DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB740 message_passing_m 222 message_passing.fypp cp2k.psmp 000000000341E44E fft_tools_mp_yz_t 1580 fft_tools.F cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E281 rs_pw_interface_m 111 rs_pw_interface.F cp2k.psmp 00000000013E5817 qs_collocate_dens 1620 qs_collocate_density.F cp2k.psmp 00000000010B2C3D qs_rho_methods_mp 533 qs_rho_methods.F cp2k.psmp 00000000010B1DFD qs_rho_methods_mp 433 qs_rho_methods.F cp2k.psmp 00000000025425B9 qs_scf_loop_utils 631 qs_scf_loop_utils.F cp2k.psmp 000000000197FE7A qs_scf_mp_scf_env 560 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EE8A6200D90 Unknown Unknown Unknown libc.so.6 00000EE8A6200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5767580359998 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/MOM_MP2_geoopt.inp.out libmkl_blacs_inte 0000138A52ACEFA0 MKLMPI_Comm_dup Unknown Unknown libmkl_blacs_inte 0000138A52ACD400 Cblacs_gridmap Unknown Unknown libmkl_scalapack_ 0000138A486A23C2 Cpdgemr2d Unknown Unknown libmkl_scalapack_ 0000138A486A2197 pdgemr2d_ Unknown Unknown cp2k.psmp 00000000036635F0 cp_fm_diag_utils_ 406 cp_fm_diag_utils.F cp2k.psmp 00000000035F4F48 cp_fm_elpa_mp_cp_ 295 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 000000000295AECF qs_mom_methods_mp 455 qs_mom_methods.F cp2k.psmp 000000000253EFAC qs_scf_loop_utils 206 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000138A41600D90 Unknown Unknown Unknown libc.so.6 0000138A41600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00001507BE219520 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5E02411 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5B17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5B18028 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5EA3270 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5C067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5C0A224 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C59299CF Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5928AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5B631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5B62E2D Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5BCB553 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5BCB29F Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5BC8AB7 Unknown Unknown Unknown libmpi.so.12.0.0 00001507C5BBB377 PMPI_Comm_dup Unknown Unknown libmkl_blacs_inte 00001507CF706FA0 MKLMPI_Comm_dup Unknown Unknown libmkl_blacs_inte 00001507CF705400 Cblacs_gridmap Unknown Unknown libmkl_scalapack_ 00001507C52A23C2 Cpdgemr2d Unknown Unknown libmkl_scalapack_ 00001507C52A2197 pdgemr2d_ Unknown Unknown cp2k.psmp 000000000366369A cp_fm_diag_utils_ 415 cp_fm_diag_utils.F cp2k.psmp 00000000035F4F48 cp_fm_elpa_mp_cp_ 295 cp_fm_elpa.F cp2k.psmp 00000000035EE5F1 cp_fm_diag_mp_cho 228 cp_fm_diag.F cp2k.psmp 0000000001887FD6 qs_scf_methods_mp 221 qs_scf_methods.F cp2k.psmp 0000000001F92571 qs_scf_diagonaliz 257 qs_scf_diagonalization.F cp2k.psmp 000000000295AECF qs_mom_methods_mp 455 qs_mom_methods.F cp2k.psmp 000000000253EFAC qs_scf_loop_utils 206 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001507BE200D90 Unknown Unknown Unknown libc.so.6 00001507BE200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.61040353299995 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/H2O_MD_mme.inp.out libmpi.so.12.0.0 00000DDE9611B3D1 Unknown Unknown Unknown libmpi.so.12.0.0 00000DDE96271653 Unknown Unknown Unknown libmpi.so.12.0.0 00000DDE9625E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000DDE9636375C Unknown Unknown Unknown libmpi.so.12.0.0 00000DDE96149982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000DDE8F05DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 00000000017CD0C3 mp2_cphf_mp_solve 473 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000DDE8EA00D90 Unknown Unknown Unknown libc.so.6 00000DDE8EA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000014AD32E19520 Unknown Unknown Unknown libc.so.6 000014AD32EFCE2E epoll_wait Unknown Unknown libtcp-fi.so 000014ACF961A8EC Unknown Unknown Unknown libtcp-fi.so 000014ACF9617DC5 Unknown Unknown Unknown libtcp-fi.so 000014ACF962FA30 Unknown Unknown Unknown libtcp-fi.so 000014ACF9613839 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3AA02393 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A717D5A Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A718028 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3AAA3270 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A8067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A80A224 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A50D021 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A51B3D1 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A671653 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A65E779 Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A76375C Unknown Unknown Unknown libmpi.so.12.0.0 000014AD3A549982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000014AD3345DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 00000000017CD0C3 mp2_cphf_mp_solve 473 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000744ECD md_run_mp_qs_mol_ 371 md_run.F cp2k.psmp 00000000007441C9 md_run_mp_qs_mol_ 149 md_run.F cp2k.psmp 000000000068B78C cp2k_runs_mp_cp2k 367 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000014AD32E00D90 Unknown Unknown Unknown libc.so.6 000014AD32E00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.58134330400026 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-2/O2_dyn_ri-hfx.inp.out cp2k.psmp 0000000002BB42A5 dbt_methods_mp_db 906 dbt_methods.F cp2k.psmp 0000000002BB00BA dbt_methods_mp_db 535 dbt_methods.F cp2k.psmp 0000000000F30CAB hfx_ri_mp_hfx_ri_ 1656 hfx_ri.F cp2k.psmp 0000000000F20847 hfx_ri_mp_hfx_ri_ 1135 hfx_ri.F cp2k.psmp 0000000000CB6CA6 hfx_admm_utils_mp 1255 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00001218EFA00D90 Unknown Unknown Unknown libc.so.6 00001218EFA00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000011DA8D619520 Unknown Unknown Unknown libc.so.6 000011DA8D6FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000011DA53E1A8EC Unknown Unknown Unknown libtcp-fi.so 000011DA53E17DC5 Unknown Unknown Unknown libtcp-fi.so 000011DA53E2FA30 Unknown Unknown Unknown libtcp-fi.so 000011DA53E13839 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA95202393 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94F17D5A Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94F18028 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA952A3270 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA950067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA9500A224 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94D299CF Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94D28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94F631E7 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94F62E2D Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94FCB553 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94FCB29F Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94FC8AB7 Unknown Unknown Unknown libmpi.so.12.0.0 000011DA94FBB377 PMPI_Comm_dup Unknown Unknown libmpifort.so.12. 000011DA8DCF6FEB pmpi_comm_dup_ Unknown Unknown cp2k.psmp 00000000037834CD message_passing_m 1757 message_passing.F cp2k.psmp 0000000002BDF73E dbt_tas_split_mp_ 98 dbt_tas_split.F cp2k.psmp 0000000002BDF1D2 dbt_tas_split_mp_ 382 dbt_tas_split.F cp2k.psmp 0000000002BEEAFB dbt_tas_mm_mp_cha 1193 dbt_tas_mm.F cp2k.psmp 0000000002BECAEE dbt_tas_mm_mp_res 992 dbt_tas_mm.F cp2k.psmp 0000000002BE76B8 dbt_tas_mm_mp_dbt 376 dbt_tas_mm.F cp2k.psmp 0000000002BB42A5 dbt_methods_mp_db 906 dbt_methods.F cp2k.psmp 0000000002BB00BA dbt_methods_mp_db 535 dbt_methods.F cp2k.psmp 0000000000F30CAB hfx_ri_mp_hfx_ri_ 1656 hfx_ri.F cp2k.psmp 0000000000F20847 hfx_ri_mp_hfx_ri_ 1135 hfx_ri.F cp2k.psmp 0000000000CB6CA6 hfx_admm_utils_mp 1255 hfx_admm_utils.F cp2k.psmp 0000000000D61A20 qs_ks_methods_mp_ 600 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 000000000068B890 cp2k_runs_mp_cp2k 361 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011DA8D600D90 Unknown Unknown Unknown libc.so.6 000011DA8D600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.3885119409997 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_cg.inp.out libmpifort.so.12. 00001067306F53C0 Unknown Unknown Unknown libmpifort.so.12. 000010673065D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003833E2D dbcsr_mpiwrap_mp_ 2222 dbcsr_mpiwrap.F cp2k.psmp 0000000003972AE1 dbcsr_operations_ 2527 dbcsr_operations.F cp2k.psmp 000000000391ADEA dbcsr_mm_mp_dbcsr 613 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161C42 cp_dbcsr_operatio 809 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000106730000D90 Unknown Unknown Unknown libc.so.6 0000106730000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000E4EC6619520 Unknown Unknown Unknown libc.so.6 00000E4EC66FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000E4E8CE1A8EC Unknown Unknown Unknown libtcp-fi.so 00000E4E8CE17DC5 Unknown Unknown Unknown libtcp-fi.so 00000E4E8CE2FA30 Unknown Unknown Unknown libtcp-fi.so 00000E4E8CE13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECE202393 Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDF17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECE1245DC Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECE124512 Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECE3F47AF Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECE3F6E6A Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDE9CBDA Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDE6E269 Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDE5E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDF6336D Unknown Unknown Unknown libmpi.so.12.0.0 00000E4ECDD43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000E4EC6CF53C0 Unknown Unknown Unknown libmpifort.so.12. 00000E4EC6C5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 0000000003833E2D dbcsr_mpiwrap_mp_ 2222 dbcsr_mpiwrap.F cp2k.psmp 0000000003972AE1 dbcsr_operations_ 2527 dbcsr_operations.F cp2k.psmp 000000000391ADEA dbcsr_mm_mp_dbcsr 613 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161C42 cp_dbcsr_operatio 809 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E4EC6600D90 Unknown Unknown Unknown libc.so.6 00000E4EC6600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.56599652299974 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_sd.inp.out cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E80B rs_pw_interface_m 181 rs_pw_interface.F cp2k.psmp 00000000011A2C94 qs_integrate_pote 694 qs_integrate_potential_product.F cp2k.psmp 000000000190B03E qs_ks_utils_mp_su 1526 qs_ks_utils.F cp2k.psmp 0000000000D62137 qs_ks_methods_mp_ 683 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000EEB0EE00D90 Unknown Unknown Unknown libc.so.6 00000EEB0EE00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000F4E08619520 Unknown Unknown Unknown libc.so.6 00000F4E086FCE2E epoll_wait Unknown Unknown libtcp-fi.so 00000F4DCEE1A8EC Unknown Unknown Unknown libtcp-fi.so 00000F4DCEE17DC5 Unknown Unknown Unknown libtcp-fi.so 00000F4DCEE2FA30 Unknown Unknown Unknown libtcp-fi.so 00000F4DCEE13839 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E10202393 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FF17D5A Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FF18028 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E102A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E100067F5 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E1000A224 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FD299CF Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FD28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FF631E7 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FF74235 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FE5E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FE5E769 Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FF6375C Unknown Unknown Unknown libmpi.so.12.0.0 00000F4E0FD49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 00000F4E08C5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000037CB740 message_passing_m 222 message_passing.fypp cp2k.psmp 000000000341E44E fft_tools_mp_yz_t 1580 fft_tools.F cp2k.psmp 000000000341AB3D fft_tools_mp_fft3 842 fft_tools.F cp2k.psmp 0000000003505C69 pw_methods_mp_fft 1393 pw_methods.F cp2k.psmp 000000000337E80B rs_pw_interface_m 181 rs_pw_interface.F cp2k.psmp 00000000011A2C94 qs_integrate_pote 694 qs_integrate_potential_product.F cp2k.psmp 000000000190B03E qs_ks_utils_mp_su 1526 qs_ks_utils.F cp2k.psmp 0000000000D62137 qs_ks_methods_mp_ 683 qs_ks_methods.F cp2k.psmp 0000000000D5E5AA qs_ks_methods_mp_ 1205 qs_ks_methods.F cp2k.psmp 0000000000D5DE98 qs_ks_methods_mp_ 1101 qs_ks_methods.F cp2k.psmp 000000000197FA95 qs_scf_mp_scf_env 486 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000F4E08600D90 Unknown Unknown Unknown libc.so.6 00000F4E08600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.61672472400005 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_pr.inp.out cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 00000000019DDAEA qs_wf_history_met 912 qs_wf_history_methods.F cp2k.psmp 0000000001AB0639 qs_scf_initializa 1071 qs_scf_initialization.F cp2k.psmp 0000000001AB1D24 qs_scf_initializa 998 qs_scf_initialization.F cp2k.psmp 0000000001AB9B55 qs_scf_initializa 181 qs_scf_initialization.F cp2k.psmp 00000000019753F5 qs_scf_mp_scf_ 236 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000011DDFE000D90 Unknown Unknown Unknown libc.so.6 000011DDFE000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000012613B819520 Unknown Unknown Unknown libc.so.6 000012613B8FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000012610201A8EC Unknown Unknown Unknown libtcp-fi.so 0000126102017DC5 Unknown Unknown Unknown libtcp-fi.so 000012610202FA30 Unknown Unknown Unknown libtcp-fi.so 0000126102013839 Unknown Unknown Unknown libmpi.so.12.0.0 0000126143402393 Unknown Unknown Unknown libmpi.so.12.0.0 0000126143117D5A Unknown Unknown Unknown libmpi.so.12.0.0 0000126143118028 Unknown Unknown Unknown libmpi.so.12.0.0 00001261434A3270 Unknown Unknown Unknown libmpi.so.12.0.0 00001261432067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000012614320A224 Unknown Unknown Unknown libmpi.so.12.0.0 0000126142F299CF Unknown Unknown Unknown libmpi.so.12.0.0 0000126142F28AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00001261431631E7 Unknown Unknown Unknown libmpi.so.12.0.0 0000126143174235 Unknown Unknown Unknown libmpi.so.12.0.0 000012614305E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000012614305E769 Unknown Unknown Unknown libmpi.so.12.0.0 000012614316375C Unknown Unknown Unknown libmpi.so.12.0.0 0000126142F49982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000012613BE5DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 00000000038357DB dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000387441A dbcsr_mp_operatio 280 dbcsr_mp_operations.F cp2k.psmp 0000000003816EC5 dbcsr_transformat 1831 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 0000000001161923 cp_dbcsr_operatio 754 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 00000000019DDAEA qs_wf_history_met 912 qs_wf_history_methods.F cp2k.psmp 0000000001AB0639 qs_scf_initializa 1071 qs_scf_initialization.F cp2k.psmp 0000000001AB1D24 qs_scf_initializa 998 qs_scf_initialization.F cp2k.psmp 0000000001AB9B55 qs_scf_initializa 181 qs_scf_initialization.F cp2k.psmp 00000000019753F5 qs_scf_mp_scf_ 236 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012613B800D90 Unknown Unknown Unknown libc.so.6 000012613B800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.5283479330001 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_richardson.inp.out libc.so.6 000012948A200D90 Unknown Unknown Unknown libc.so.6 000012948A200E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000E3312819520 Unknown Unknown Unknown libmpi.so.12.0.0 00000E331A14E087 Unknown Unknown Unknown libmpi.so.12.0.0 00000E331A14EF74 Unknown Unknown Unknown libmpi.so.12.0.0 00000E331A06E4EB Unknown Unknown Unknown libmpi.so.12.0.0 00000E331A05E779 Unknown Unknown Unknown libmpi.so.12.0.0 00000E331A16336D Unknown Unknown Unknown libmpi.so.12.0.0 00000E3319F43D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 00000E3312EF53C0 Unknown Unknown Unknown libmpifort.so.12. 00000E3312E5D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000383E5B0 dbcsr_mpiwrap_mp_ 3355 dbcsr_mpiwrap.F cp2k.psmp 0000000003972B4B dbcsr_operations_ 2542 dbcsr_operations.F cp2k.psmp 00000000039198DB dbcsr_mm_mp_dbcsr 433 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161B0B cp_dbcsr_operatio 783 cp_dbcsr_operations.F cp2k.psmp 00000000017CD0C3 mp2_cphf_mp_solve 473 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 00000E3312800D90 Unknown Unknown Unknown libc.so.6 00000E3312800E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000012F843A19520 Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B34C630 Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B34D8A2 Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B27FDB3 Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B25E779 Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B36336D Unknown Unknown Unknown libmpi.so.12.0.0 000012F84B143D34 PMPI_Allreduce Unknown Unknown libmpifort.so.12. 000012F8440F53C0 Unknown Unknown Unknown libmpifort.so.12. 000012F84405D4FA mpi_allreduce_f08 Unknown Unknown cp2k.psmp 000000000383E5B0 dbcsr_mpiwrap_mp_ 3355 dbcsr_mpiwrap.F cp2k.psmp 0000000003972B4B dbcsr_operations_ 2542 dbcsr_operations.F cp2k.psmp 00000000039198A0 dbcsr_mm_mp_dbcsr 430 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161B0B cp_dbcsr_operatio 783 cp_dbcsr_operations.F cp2k.psmp 00000000017CD0C3 mp2_cphf_mp_solve 473 mp2_cphf.F cp2k.psmp 000000000218338B mp2_gpw_mp_mp2_gp 625 mp2_gpw.F cp2k.psmp 00000000021E7116 mp2_mp_mp2_main_ 595 mp2.F cp2k.psmp 00000000018C3406 qs_energy_mp_qs_e 179 qs_energy.F cp2k.psmp 00000000018C3327 qs_energy_mp_qs_e 127 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000012F843A00D90 Unknown Unknown Unknown libc.so.6 000012F843A00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.6139960219998 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_cg_enforce.inp.out libiomp5.so 000014A176F36C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000014A176EC5273 Unknown Unknown Unknown libiomp5.so 000014A176EBE76B __kmp_fork_call Unknown Unknown libiomp5.so 000014A176E7FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000039AE6C2 dbcsr_mm_cannon_m 455 dbcsr_mm_cannon.F cp2k.psmp 00000000039A8940 dbcsr_mm_cannon_m 283 dbcsr_mm_cannon.F cp2k.psmp 00000000039A7D3F dbcsr_mm_cannon_m 185 dbcsr_mm_cannon.F cp2k.psmp 000000000391C336 dbcsr_mm_mp_dbcsr 881 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161C42 cp_dbcsr_operatio 809 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000014A176C00D90 Unknown Unknown Unknown libc.so.6 000014A176C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000013EB3C619520 Unknown Unknown Unknown libc.so.6 000013EB3C6FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000013EB02E1A8EC Unknown Unknown Unknown libtcp-fi.so 000013EB02E17DC5 Unknown Unknown Unknown libtcp-fi.so 000013EB02E2FA30 Unknown Unknown Unknown libtcp-fi.so 000013EB02E13839 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB44202393 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43F17D5A Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43F18028 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB442A3270 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB440067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB4400FAF3 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43CF303F Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43E6DD36 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43E5E779 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43F634C1 Unknown Unknown Unknown libmpi.so.12.0.0 000013EB43D4682E PMPI_Alltoall Unknown Unknown libmpifort.so.12. 000013EB3CCF565E Unknown Unknown Unknown libmpifort.so.12. 000013EB3CC5D890 mpi_alltoall_f08t Unknown Unknown cp2k.psmp 0000000003836022 dbcsr_mpiwrap_mp_ 2989 dbcsr_mpiwrap.F cp2k.psmp 00000000039AC2DA dbcsr_mm_cannon_m 532 dbcsr_mm_cannon.F libiomp5.so 000013EB3C936C43 __kmp_invoke_micr Unknown Unknown libiomp5.so 000013EB3C8C5273 Unknown Unknown Unknown libiomp5.so 000013EB3C8BE76B __kmp_fork_call Unknown Unknown libiomp5.so 000013EB3C87FC88 __kmpc_fork_call Unknown Unknown cp2k.psmp 00000000039AE6C2 dbcsr_mm_cannon_m 455 dbcsr_mm_cannon.F cp2k.psmp 00000000039A8940 dbcsr_mm_cannon_m 283 dbcsr_mm_cannon.F cp2k.psmp 00000000039A7D3F dbcsr_mm_cannon_m 185 dbcsr_mm_cannon.F cp2k.psmp 000000000391C336 dbcsr_mm_mp_dbcsr 881 dbcsr_mm.F cp2k.psmp 00000000039CDAF5 dbcsr_multiply_ap 93 dbcsr_multiply_api.F cp2k.psmp 0000000001161C42 cp_dbcsr_operatio 809 cp_dbcsr_operations.F cp2k.psmp 0000000001033BA7 qs_density_matric 136 qs_density_matrices.F cp2k.psmp 0000000001F91E0E qs_scf_diagonaliz 349 qs_scf_diagonalization.F cp2k.psmp 000000000253EFE0 qs_scf_loop_utils 210 qs_scf_loop_utils.F cp2k.psmp 000000000197FAF2 qs_scf_mp_scf_env 497 qs_scf.F cp2k.psmp 0000000001975433 qs_scf_mp_scf_ 247 qs_scf.F cp2k.psmp 00000000018C32DA qs_energy_mp_qs_e 117 qs_energy.F cp2k.psmp 000000000124B766 qs_force_mp_qs_fo 200 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007DA4B7 bfgs_optimizer_mp 393 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000013EB3C600D90 Unknown Unknown Unknown libc.so.6 000013EB3C600E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.6356868769999 seconds. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/regtesting/local/psmp/TEST-local-psmp-2024-07-24_08-40-13/QS/regtest-mp2-grad-solvers/H2O_grad_cg_recalc.inp.out libmpi.so.12.0.0 0000112078328AF4 Unknown Unknown Unknown libmpi.so.12.0.0 00001120785631E7 Unknown Unknown Unknown libmpi.so.12.0.0 0000112078574235 Unknown Unknown Unknown libmpi.so.12.0.0 000011207845E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000011207845E769 Unknown Unknown Unknown libmpi.so.12.0.0 000011207856375C Unknown Unknown Unknown libmpi.so.12.0.0 0000112078349982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000011207125DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386D7E2 dbcsr_mp_operatio 790 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 000000000116198B cp_dbcsr_operatio 761 cp_dbcsr_operations.F cp2k.psmp 0000000001035464 qs_density_matric 452 qs_density_matrices.F cp2k.psmp 00000000017E2282 mp2_cphf_mp_updat 1955 mp2_cphf.F cp2k.psmp 000000000124E08C qs_force_mp_qs_fo 333 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 0000112070C00D90 Unknown Unknown Unknown libc.so.6 0000112070C00E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000010A8D3019520 Unknown Unknown Unknown libc.so.6 000010A8D30FCE2E epoll_wait Unknown Unknown libtcp-fi.so 000010A89981A8EC Unknown Unknown Unknown libtcp-fi.so 000010A899817DC5 Unknown Unknown Unknown libtcp-fi.so 000010A89982FA30 Unknown Unknown Unknown libtcp-fi.so 000010A899813839 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DAC02393 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA917D5A Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA918028 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DACA3270 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DAA067F5 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DAA0A224 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA7299CF Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA728AF4 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA9631E7 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA974235 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA85E3E0 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA85E769 Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA96375C Unknown Unknown Unknown libmpi.so.12.0.0 000010A8DA749982 MPI_Alltoallv Unknown Unknown libmpifort.so.12. 000010A8D365DC53 mpi_alltoallv_f08 Unknown Unknown cp2k.psmp 0000000003844B6B dbcsr_mpiwrap_mp_ 2863 dbcsr_mpiwrap.F cp2k.psmp 000000000386D7E2 dbcsr_mp_operatio 790 dbcsr_mp_operations.F cp2k.psmp 0000000003816A2F dbcsr_transformat 1814 dbcsr_transformations.F cp2k.psmp 0000000001161E4A cp_dbcsr_operatio 138 cp_dbcsr_operations.F cp2k.psmp 000000000116198B cp_dbcsr_operatio 761 cp_dbcsr_operations.F cp2k.psmp 0000000001035464 qs_density_matric 452 qs_density_matrices.F cp2k.psmp 00000000017E2282 mp2_cphf_mp_updat 1955 mp2_cphf.F cp2k.psmp 000000000124E08C qs_force_mp_qs_fo 333 qs_force.F cp2k.psmp 0000000000C88FA7 force_env_methods 259 force_env_methods.F cp2k.psmp 0000000000864B28 cp_eval_at_ 142 gopt_f77_methods.F cp2k.psmp 00000000007D882C bfgs_optimizer_mp 286 bfgs_optimizer.F cp2k.psmp 000000000078876F geo_opt_mp_cp_geo 90 geo_opt.F cp2k.psmp 000000000068B761 cp2k_runs_mp_cp2k 369 cp2k_runs.F cp2k.psmp 000000000068A184 cp2k_runs_mp_run_ 968 cp2k_runs.F cp2k.psmp 0000000000650210 MAIN__ 379 cp2k.F cp2k.psmp 000000000064E40D Unknown Unknown Unknown libc.so.6 000010A8D3000D90 Unknown Unknown Unknown libc.so.6 000010A8D3000E40 __libc_start_main Unknown Unknown cp2k.psmp 000000000064E325 Unknown Unknown Unknown implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load implib-gen: libcudart.so.11.0: failed to load library 'libcudart.so.11.0' via callback 'DP_cudart_dlopen' implib-gen: libcudart.so.11.0: failed to resolve symbol '__cudaUnregisterFatBinary', library failed to load Timed out after 400.6419313179995 seconds. ------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=400.64, yerr=0.0 PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=400.64, yerr=0.0 PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=400.63, yerr=0.0 PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=400.61, yerr=0.0 PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=400.58, yerr=0.0 PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=400.51, yerr=0.0 ------------------------------- Summary -------------------------------- Number of FAILED tests 51 Number of WRONG tests 0 Number of CORRECT tests 18 Total number of tests 69 Summary: correct: 18 / 69; failed: 51; 111min Status: FAILED *************************** Testing ended ****************************** make[3]: *** [/opt/cp2k/Makefile:256: test] Error 1 make[2]: *** [/opt/cp2k/Makefile:151: test] Error 2 make[1]: *** [/opt/cp2k/Makefile:128: psmp] Error 2 make: *** [Makefile:123: test] Error 2 Removing intermediate container ac98f69e981f ---> 81c039954d68 Step 41/42 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in c9ad7ca14787 Removing intermediate container c9ad7ca14787 ---> b6479b080abf Step 42/42 : ENTRYPOINT [] ---> Running in 8cbd22379930 Removing intermediate container 8cbd22379930 ---> caad42eac5b5 [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built caad42eac5b5 Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-intel-psmp:master Pushing new image... done. #################### Running Image cp2k-intel-psmp #################### EndDate: 2024-07-24 10:35:05+00:00